{"pert_id":"BRD-A00100033","pert_iname":"nifurtimox","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ARFHIAQFJWUCFH","inchi_key":"ARFHIAQFJWUCFH-UHFFFAOYSA-N","canonical_smiles":"CC1CS(=O)(=O)CCN1N=Cc1ccc(o1)[N+]([O-])=O","pubchem_cid":"6842999","MOA":"DNA inhibitor","chembl_id":"CHEMBL290960","molregno":56480,"PubChem_ID":"6842999","DrugBank_ID":"DB11820","pref_name":"NIFURTIMOX","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2020,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2015,"availability_type":1,"usan_stem":"nifur-","usan_stem_definition":"5-nitrofuran derivatives","withdrawn_flag":0,"mechanism_of_action":"DNA inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Not fully elucidated but reactive metabolites are throught to damage nuclear and kinetoplast DNA."}
{"pert_id":"BRD-A00150179","pert_iname":"5-hydroxytryptophan","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QSHLMQDRPXXYEE","inchi_key":"QSHLMQDRPXXYEE-UHFFFAOYSA-N","canonical_smiles":"NC(Cc1c[nH]c2cccc(O)c12)C(O)=O","pubchem_cid":"589768"}
{"pert_id":"BRD-A00267231","pert_iname":"hemado","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"KOCIMZNSNPOGOP","inchi_key":"KOCIMZNSNPOGOP-UHFFFAOYSA-N","canonical_smiles":"CCCCC#Cc1nc(NC)c2ncn(C3OC(CO)C(O)C3O)c2n1","pubchem_cid":"4043357","MOA":"Adenosine receptor agonist"}
{"pert_id":"BRD-A00420644","pert_iname":"SA-3676","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ASCBUEVCEVGOFP","inchi_key":"ASCBUEVCEVGOFP-UHFFFAOYSA-N","canonical_smiles":"CCN1C2C(C(=NC2Nc3ccccc13)OC)c4ccccc4","pubchem_cid":"2853908","chembl_id":"CHEMBL1403744","molregno":827628,"PubChem_ID":"2853908","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A00474148","pert_iname":"BRD-A00474148","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RCGAUPRLRFZAMS","inchi_key":"RCGAUPRLRFZAMS-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc(cc1)N1CCN(CC1)[S+]([O-])(=O)c1ccc2NC(=O)Cc2c1","pubchem_cid":"44825297","chembl_id":"CHEMBL2180814","molregno":1441633,"PubChem_ID":"44825297","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A00520476","pert_iname":"AF-DX-116","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UBRKDAVQCKZSPO","inchi_key":"UBRKDAVQCKZSPO-UHFFFAOYSA-N","canonical_smiles":"CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12","pubchem_cid":"107867","chembl_id":"CHEMBL17045","molregno":18726,"PubChem_ID":"107867","pref_name":"OTENZEPAD","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-A00546892","pert_iname":"biperiden","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YSXKPIUOCJLQIE","inchi_key":"YSXKPIUOCJLQIE-UHFFFAOYSA-N","canonical_smiles":"OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1","pubchem_cid":"2381","MOA":"Acetylcholine receptor antagonist","chembl_id":"CHEMBL1101","molregno":151063,"PubChem_ID":"2381","DrugBank_ID":"DB00810","pref_name":"BIPERIDEN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1959,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"indication_class":"Anticholinergic; Antiparkinsonian,Antiparkinsonian; Anticholinergic","withdrawn_flag":0}
{"pert_id":"BRD-A00626522","pert_iname":"BRD-A00626522","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JESWDHXLYTYZAC","inchi_key":"JESWDHXLYTYZAC-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1)C(CC(=O)N2CCCC(C)C2)c3c(O)cc(OC)cc3OC","pubchem_cid":"16746329","chembl_id":"CHEMBL1370683","molregno":794567,"PubChem_ID":"16746329","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A00758722","pert_iname":"noretynodrel","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ICTXHFFSOAJUMG","inchi_key":"ICTXHFFSOAJUMG-OQPPHWFISA-N","canonical_smiles":"C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CC[C@@]2(O)C#C","pubchem_cid":"5702095","MOA":"Progestogen hormone","chembl_id":"CHEMBL1439866","molregno":863750,"PubChem_ID":"5702095","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A00763758","pert_iname":"BRD-A00763758","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MASIPYZIHWNUPA","inchi_key":"MASIPYZIHWNUPA-UHFFFAOYSA-N","canonical_smiles":"COc1cc(ccc1O)C(O)C(C)N","pubchem_cid":"43209100"}
{"pert_id":"BRD-A00827783","pert_iname":"dyphylline","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KSCFJBIXMNOVSH","inchi_key":"KSCFJBIXMNOVSH-UHFFFAOYSA-N","canonical_smiles":"Cn1c2ncn(CC(O)CO)c2c(=O)n(C)c1=O","pubchem_cid":"3182","chembl_id":"CHEMBL1752","molregno":581819,"PubChem_ID":"3182","DrugBank_ID":"DB00651","pref_name":"DYPHYLLINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1951,"oral":1,"parenteral":1,"topical":0,"natural_product":1,"inorganic_flag":0,"availability_type":1,"indication_class":"Bronchodilator","withdrawn_flag":0,"mechanism_of_action":"Phosphodiesterase 3A inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A00993607","pert_iname":"alprenolol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"PAZJSJFMUHDSTF","inchi_key":"PAZJSJFMUHDSTF-UHFFFAOYSA-N","canonical_smiles":"CC(C)NCC(O)COc1ccccc1CC=C","pubchem_cid":"2119","MOA":"Adrenergic receptor antagonist","chembl_id":"CHEMBL266195","molregno":822,"PubChem_ID":"2119","DrugBank_ID":"DB00866","pref_name":"ALPRENOLOL","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1968,"usan_stem":"-olol","usan_stem_definition":"beta-blockers (propranolol type)","indication_class":"Anti-Adrenergic (beta-receptor)","withdrawn_flag":0}
{"pert_id":"BRD-A01078468","pert_iname":"hexestrol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PBBGSZCBWVPOOL","inchi_key":"PBBGSZCBWVPOOL-UHFFFAOYSA-N","canonical_smiles":"CCC(C(CC)c1ccc(O)cc1)c1ccc(O)cc1","pubchem_cid":"3606","chembl_id":"CHEMBL6615","molregno":401,"PubChem_ID":"3606","pref_name":"HEXESTROL","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-estr-","usan_stem_definition":"estrogens","withdrawn_flag":0}
{"pert_id":"BRD-A01145011","pert_iname":"zebularine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RPQZTTQVRYEKCR","inchi_key":"RPQZTTQVRYEKCR-JJFBUQMESA-N","canonical_smiles":"OC[C@H]1O[C@H](C(O)[C@H]1O)n1cccnc1=O","pubchem_cid":"46783268","MOA":"DNA methyltransferase inhibitor","chembl_id":"CHEMBL1971942","molregno":1293233,"PubChem_ID":"46783268","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A01295252","pert_iname":"7-hydroxy-PIPAT","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RTMIJLQPWFKAFE","inchi_key":"RTMIJLQPWFKAFE-FPYGCLRLSA-N","canonical_smiles":"CCCN(C\\C=C\\I)C1CCc2ccc(O)cc2C1","pubchem_cid":"6305587","chembl_id":"CHEMBL110239","molregno":176477,"PubChem_ID":"6305587","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A01317026","pert_iname":"7,8-dihydro-L-biopterin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FEMXZDUTFRTWPE","inchi_key":"FEMXZDUTFRTWPE-YRAGUDHZSA-N","canonical_smiles":"CC(O)[C@H](O)C1=Nc2c(NC1)nc(N)[nH]c2=O","pubchem_cid":"71684472","MOA":"Dihydroneopterin aldolase inhibitor"}
{"pert_id":"BRD-A01320529","pert_iname":"salmeterol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GIIZNNXWQWCKIB","inchi_key":"GIIZNNXWQWCKIB-UHFFFAOYSA-N","canonical_smiles":"OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1","pubchem_cid":"5152","MOA":"Adrenergic receptor agonist","chembl_id":"CHEMBL1263","molregno":242716,"PubChem_ID":"5152","DrugBank_ID":"DB00938","pref_name":"SALMETEROL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1994,"oral":0,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1985,"availability_type":1,"usan_stem":"-terol; sal-","usan_stem_definition":"bronchodilators (phenethylamine derivatives); anti-inflammatory agents (salicylic acid derivatives)","indication_class":"Bronchodilator","withdrawn_flag":0}
{"pert_id":"BRD-A01346607","pert_iname":"flumetasone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WXURHACBFYSXBI","inchi_key":"WXURHACBFYSXBI-DRBBXQFKSA-N","canonical_smiles":"C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO","pubchem_cid":"5702178","MOA":"Glucocorticoid receptor agonist"}
{"pert_id":"BRD-A01593789","pert_iname":"chlormadinone-acetate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QMBJSIBWORFWQT","inchi_key":"QMBJSIBWORFWQT-GDMUWPLKSA-N","canonical_smiles":"CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C)C(=O)C","pubchem_cid":"9324","chembl_id":"CHEMBL110691","molregno":182928,"PubChem_ID":"9324","pref_name":"CHLORMADINONE ACETATE","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1964,"availability_type":-2,"indication_class":"Progestin","withdrawn_flag":1,"withdrawn_year":1970,"withdrawn_country":"United Kingdom; United States","withdrawn_reason":"Animal carcinogenicity (dogs)","withdrawn_class":"Carcinogenicity","mechanism_of_action":"Progesterone receptor modulator","action_type":"MODULATOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Chlormadinone acetate (CMA) shows high affinity and activity at the progesterone receptor. It has an anti-estrogenic effect and, in contrast to natural progesterone, shows moderate anti-androgenic properties. CMA acts by blocking androgen receptors in target organs and by reducing the activity of skin 5alpha-reductase. It suppresses gonadotropin secretion and thereby reduces ovarian and adrenal androgen production.","selectivity_comment":"Chlormadinone acetate has a strong affinity for the progesterone receptor, one-third higher than natural progesterone."}
{"pert_id":"BRD-A01636364","pert_iname":"bupivacaine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LEBVLXFERQHONN","inchi_key":"LEBVLXFERQHONN-UHFFFAOYSA-N","canonical_smiles":"CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C","pubchem_cid":"2474","chembl_id":"CHEMBL1098","molregno":150882,"PubChem_ID":"2474","DrugBank_ID":"DB00297","pref_name":"BUPIVACAINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1972,"oral":0,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1967,"availability_type":1,"usan_stem":"-caine","usan_stem_definition":"local anesthetics","indication_class":"Anesthetic (local)","withdrawn_flag":0,"mechanism_of_action":"Sodium channel protein type IV alpha subunit blocker","action_type":"BLOCKER","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A01643550","pert_iname":"prednisolone-acetate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LRJOMUJRLNCICJ","inchi_key":"LRJOMUJRLNCICJ-AUGMLKDDSA-N","canonical_smiles":"CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3[C@@H](O)C[C@]12C","pubchem_cid":"5834","chembl_id":"CHEMBL1152","molregno":182546,"PubChem_ID":"5834","DrugBank_ID":"DB15566","pref_name":"PREDNISOLONE ACETATE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1955,"oral":1,"parenteral":1,"topical":1,"natural_product":1,"inorganic_flag":0,"availability_type":1,"usan_stem":"pred-","usan_stem_definition":"prednisone and prednisolone derivatives","indication_class":"Glucocorticoid","withdrawn_flag":0,"mechanism_of_action":"Glucocorticoid receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A01787639","pert_iname":"naftopidil","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HRRBJVNMSRJFHQ","inchi_key":"HRRBJVNMSRJFHQ-UHFFFAOYSA-N","canonical_smiles":"COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1","pubchem_cid":"4418","MOA":"Adrenergic receptor antagonist","chembl_id":"CHEMBL142635","molregno":237007,"PubChem_ID":"4418","DrugBank_ID":"DB12092","pref_name":"NAFTOPIDIL","max_phase":3,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-dil","usan_stem_definition":"vasodilators (undefined group)","withdrawn_flag":0,"mechanism_of_action":"Alpha-1d adrenergic receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"selectivity_comment":"Higher selectivity for the alpha 1D subtype over the alpha 1A type (3-fold) and alpha 1B type (17-fold). "}
{"pert_id":"BRD-A01826957","pert_iname":"xanthinol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"DSFGXPJYDCSWTA","inchi_key":"DSFGXPJYDCSWTA-UHFFFAOYSA-N","canonical_smiles":"CN(CCO)CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12","pubchem_cid":"9912","MOA":"Vasodilator","chembl_id":"CHEMBL1560089","molregno":983973,"PubChem_ID":"9912","pref_name":"XANTHINOL NIACINATE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1963,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A01960364","pert_iname":"BRD-A01960364","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WJQMZXHQQRBUBD","inchi_key":"WJQMZXHQQRBUBD-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1)C2C(C(=O)O)c3ccccc3C(=O)N2Cc4ccc(Cl)cc4","pubchem_cid":"2826386"}
{"pert_id":"BRD-A01973626","pert_iname":"BRD-A01973626","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FSKZSCFSPFWKPI","inchi_key":"FSKZSCFSPFWKPI-UHFFFAOYSA-N","canonical_smiles":"CCC(=O)NC(c1ccco1)c1cc(Br)c2cccnc2c1O","pubchem_cid":"44460172","chembl_id":"CHEMBL1561166","molregno":985050,"PubChem_ID":"44460172","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A01999384","pert_iname":"BRD-A01999384","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CLVUZWSRQXKIEX","inchi_key":"CLVUZWSRQXKIEX-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1OC2CCOC2)C3=Nn4c(nnc4SC3)c5ccccc5C(F)(F)F","pubchem_cid":"44142102","chembl_id":"CHEMBL564735","molregno":565368,"PubChem_ID":"44142102","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A02006392","pert_iname":"nitrendipine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PVHUJELLJLJGLN","inchi_key":"PVHUJELLJLJGLN-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC","pubchem_cid":"4507","MOA":"Calcium channel blocker","chembl_id":"CHEMBL475534","molregno":453570,"PubChem_ID":"4507","DrugBank_ID":"DB01054","pref_name":"NITRENDIPINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1981,"availability_type":-1,"usan_stem":"-dipine","usan_stem_definition":"phenylpyridine vasodilators (nifedipine type)","indication_class":"Antihypertensive","withdrawn_flag":0,"mechanism_of_action":"Voltage-gated L-type calcium channel blocker","action_type":"BLOCKER","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A02176148","pert_iname":"tubaic-acid","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CMXGHLJKXLIMAQ","inchi_key":"CMXGHLJKXLIMAQ-UHFFFAOYSA-N","canonical_smiles":"CC(=C)C1Cc2c(O1)ccc(C(=O)O)c2O","pubchem_cid":"3919910","MOA":"Mitochondrial complex I inhibitor; NADH-ubiquinone oxidoreductase (Complex I) inhibitor","chembl_id":"CHEMBL1479987","molregno":903871,"PubChem_ID":"3919910","pref_name":"TUBAIC ACID","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A02180903","pert_iname":"betamethasone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UREBDLICKHMUKA","inchi_key":"UREBDLICKHMUKA-REKGUKDCSA-N","canonical_smiles":"C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO","pubchem_cid":"9782","MOA":"Anti-inflammatory; Glucocorticoid receptor agonist","chembl_id":"CHEMBL632","molregno":27152,"PubChem_ID":"9782","DrugBank_ID":"DB00443","pref_name":"BETAMETHASONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1961,"oral":1,"parenteral":0,"topical":1,"natural_product":1,"inorganic_flag":0,"usan_year":1962,"availability_type":0,"indication_class":"Glucocorticoid","withdrawn_flag":0,"mechanism_of_action":"Glucocorticoid receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A02189320","pert_iname":"met-leu-phe","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CHDYFPCQVUOJEB","inchi_key":"CHDYFPCQVUOJEB-UHFFFAOYSA-N","canonical_smiles":"CSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O","pubchem_cid":"91672"}
{"pert_id":"BRD-A02198599","pert_iname":"EMF-sumo1-9","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BFQJGJYTDOYXDQ","inchi_key":"BFQJGJYTDOYXDQ-UHFFFAOYSA-N","canonical_smiles":"CC1CC(C)(C)N2C(=O)C3(Nc4ccccc4S3)c5cccc1c25","pubchem_cid":"4898145","chembl_id":"CHEMBL1574387","molregno":998271,"PubChem_ID":"4898145","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-A05186015","pert_iname":"bupropion","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SNPPWIUOZRMYNY","inchi_key":"SNPPWIUOZRMYNY-UHFFFAOYSA-N","canonical_smiles":"CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1","pubchem_cid":"444","MOA":"Dopamine uptake inhibitor","chembl_id":"CHEMBL894","molregno":77128,"PubChem_ID":"444","DrugBank_ID":"DB01156","pref_name":"BUPROPION","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1985,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1974,"availability_type":1,"indication_class":"Antidepressant","withdrawn_flag":0}
{"pert_id":"BRD-A05352148","pert_iname":"ipratropium","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OEXHQOGQTVQTAT","inchi_key":"OEXHQOGQTVQTAT-UHFFFAOYSA-N","canonical_smiles":"CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1","pubchem_cid":"657309","MOA":"Acetylcholine receptor antagonist","chembl_id":"CHEMBL1740585","molregno":1119636,"PubChem_ID":"657309","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A05457250","pert_iname":"BAY-K8644","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZFLWDHHVRRZMEI","inchi_key":"ZFLWDHHVRRZMEI-UHFFFAOYSA-N","canonical_smiles":"COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O","pubchem_cid":"2303","MOA":"Calcium channel activator; L-type calcium channel activator","chembl_id":"CHEMBL1082832","molregno":631397,"PubChem_ID":"2303","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A05565054","pert_iname":"BRD-A05565054","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OYBBUXRKEHCUIG","inchi_key":"OYBBUXRKEHCUIG-UHFFFAOYSA-N","canonical_smiles":"CCC1CCCCN1C(=O)n1cc(nn1)C(O)(c1ccccc1)c1ccccc1","pubchem_cid":"46937236"}
{"pert_id":"BRD-A05581237","pert_iname":"dinorcitalopram-oxalate","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MKBRBMQWWXUBRC","inchi_key":"MKBRBMQWWXUBRC-UHFFFAOYSA-N","canonical_smiles":"NCCCC1(OCc2cc(ccc12)[N+]#[C-])c1ccc(F)cc1","pubchem_cid":"22094944"}
{"pert_id":"BRD-A05680309","pert_iname":"BRD-A05680309","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"POKZVJVCUGVHME","inchi_key":"POKZVJVCUGVHME-UHFFFAOYSA-N","canonical_smiles":"CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC2CCCc3ccccc23","pubchem_cid":"44143239","chembl_id":"CHEMBL1434521","molregno":858405,"PubChem_ID":"44143239","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A05729358","pert_iname":"BRD-A05729358","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FXCTZFMSAHZQTR","inchi_key":"FXCTZFMSAHZQTR-KAMYIIQDSA-N","canonical_smiles":"CCOC(=O)C12CC1\\C(=N/O)c1ccccc1O2","pubchem_cid":"6278000","chembl_id":"CHEMBL327783","molregno":143343,"PubChem_ID":"6278000","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A05831822","pert_iname":"BRD-A05831822","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SRDVQKBYLVCEKX","inchi_key":"SRDVQKBYLVCEKX-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1NC(=O)c2ccccc2N1","pubchem_cid":"17757109","chembl_id":"CHEMBL1709817","molregno":1090548,"PubChem_ID":"17757109","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A06131576","pert_iname":"BRD-A06131576","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JLBHTGXFDNZNJL","inchi_key":"JLBHTGXFDNZNJL-UHFFFAOYSA-N","canonical_smiles":"CC(C)C1CCC(C)C(C(O)c2ccc(cc2)c3ccccc3)C1=O","pubchem_cid":"5221400"}
{"pert_id":"BRD-A06276885","pert_iname":"BRD-A06276885","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PSPANKCQVWSVHM","inchi_key":"PSPANKCQVWSVHM-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc2CC3N(CC4CC4)CCC5(C6Oc1c25)C3(O)Cc7c6n(Cc8ccccc8)c9ccccc79","pubchem_cid":"4257102"}
{"pert_id":"BRD-A06304526","pert_iname":"alvespimycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KUFRQPKVAWMTJO","inchi_key":"KUFRQPKVAWMTJO-UBRRALEVSA-N","canonical_smiles":"COC1CC(C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\\C(C)=C\\C=C\\C(OC)C(OC(N)=O)\\C(C)=C\\C(C)C1O)C2=O","pubchem_cid":"73707383","MOA":"HSP inhibitor"}
{"pert_id":"BRD-A06352418","pert_iname":"terfenadine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GUGOEEXESWIERI","inchi_key":"GUGOEEXESWIERI-UHFFFAOYSA-N","canonical_smiles":"CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1","pubchem_cid":"5405","MOA":"Histamine receptor antagonist","chembl_id":"CHEMBL17157","molregno":19569,"PubChem_ID":"5405","DrugBank_ID":"DB00342","pref_name":"TERFENADINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1985,"oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1975,"availability_type":-2,"indication_class":"Antihistaminic","withdrawn_flag":1,"withdrawn_year":1998,"withdrawn_country":"United States; France; Oman; Saudi Arabia","withdrawn_reason":"Prolonged QT interval; ventricular tachycardia","withdrawn_class":"Cardiotoxicity","mechanism_of_action":"Histamine H1 receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"In humans, terfenadine is well absorbed and it is metabolized by two routes, i.e. N-dealkylation to azacyclonol and hydroxylation of the t-butyl group to form hydroxyterfenadine. Hydroxyterfenadine undergoes subsequent oxidation to the corresponding carboxylic acid, which is thought to be the biologically active antihistamine."}
{"pert_id":"BRD-A06352508","pert_iname":"SB-218078","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OTPNDVKVEAIXTI","inchi_key":"OTPNDVKVEAIXTI-UHFFFAOYSA-N","canonical_smiles":"O=C1NC(=O)c2c1c1c3ccccc3n3C4CCC(O4)n4c5ccccc5c2c4c13","pubchem_cid":"3387354","MOA":"CHK inhibitor","chembl_id":"CHEMBL304428","molregno":96627,"PubChem_ID":"3387354","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A06390036","pert_iname":"hydroquinidine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LJOQGZACKSYWCH","inchi_key":"LJOQGZACKSYWCH-NBGVHYBESA-N","canonical_smiles":"CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12","pubchem_cid":"45479756","MOA":"Antiarrhythmic","chembl_id":"CHEMBL1893843","molregno":1234414,"PubChem_ID":"45479756","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A06641369","pert_iname":"BRD-A06641369","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SBSKQOIYKJFAJN","inchi_key":"SBSKQOIYKJFAJN-UHFFFAOYSA-N","canonical_smiles":"CC(C)Oc1cccc(c1)C(=O)C2CCCN(Cc3cnn(c3)C(C)C)C2","pubchem_cid":"16187238","chembl_id":"CHEMBL1415084","molregno":838968,"PubChem_ID":"16187238","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A06664848","pert_iname":"BRD-A06664848","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RFBPLZZVEFTOML","inchi_key":"RFBPLZZVEFTOML-UHFFFAOYSA-N","canonical_smiles":"CC(Sc1nc2cc(Cl)ccc2s1)C(=O)Nc3cccc(c3)S(=O)(=O)N4CCOCC4","pubchem_cid":"3409332","chembl_id":"CHEMBL1398595","molregno":822479,"PubChem_ID":"3409332","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A06726973","pert_iname":"dibutyrylcyclic-gmp","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SWTMOFFYOXKQNN","inchi_key":"SWTMOFFYOXKQNN-UVQKOMKVSA-N","canonical_smiles":"CCCC(=O)Nc1nc2n(cnc2c(=O)[nH]1)C3O[C@H]4COP(=O)(O)O[C@@H]4[C@@H]3OC(=O)CCC","pubchem_cid":"6610337","MOA":"cGMP analog"}
{"pert_id":"BRD-A06779035","pert_iname":"BRD-A06779035","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BHURFCFBOPXSCN","inchi_key":"BHURFCFBOPXSCN-UHFFFAOYSA-N","canonical_smiles":"COc1cc(cc(OC)c1OC)C(O)CN","pubchem_cid":"28894"}
{"pert_id":"BRD-A06784547","pert_iname":"MRS-1334","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QFLOJAMZLQXHFS","inchi_key":"QFLOJAMZLQXHFS-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)C1=C(C)NC(=C(C1C#Cc2ccccc2)C(=O)OCc3ccc(cc3)[N+](=O)[O-])c4ccccc4","pubchem_cid":"NotFound","MOA":"Adenosine receptor antagonist"}
{"pert_id":"BRD-A06909528","pert_iname":"BRD-A06909528","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JOMQEKIENWKNHV","inchi_key":"JOMQEKIENWKNHV-UHFFFAOYSA-N","canonical_smiles":"O=C1N(Cc2ccccc2)c2ccccc2C11NNc2ccccc2O1","pubchem_cid":"4879301","chembl_id":"CHEMBL1606954","molregno":1030838,"PubChem_ID":"4879301","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A06929388","pert_iname":"CVF-SUMO-13","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MFDWJDXTGBHHCQ","inchi_key":"MFDWJDXTGBHHCQ-UHFFFAOYSA-N","canonical_smiles":"CCN(CC)CC(C(=O)c1ccc(F)cc1)c1ccccc1","pubchem_cid":"51003717"}
{"pert_id":"BRD-A07000685","pert_iname":"hydrocortisone-hemisuccinate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VWQWXZAWFPZJDA","inchi_key":"VWQWXZAWFPZJDA-PILPDLGISA-N","canonical_smiles":"C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O","pubchem_cid":"16623","chembl_id":"CHEMBL977","molregno":99284,"PubChem_ID":"16623","DrugBank_ID":"DB14545","pref_name":"HYDROCORTISONE HEMISUCCINATE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1955,"oral":0,"parenteral":1,"topical":0,"natural_product":1,"inorganic_flag":0,"availability_type":1,"usan_stem":"-cort-","usan_stem_definition":"cortisone derivatives","indication_class":"Adrenocortical Steroid,Glucocorticoid","withdrawn_flag":0}
{"pert_id":"BRD-A07395371","pert_iname":"esmolol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"AQNDDEOPVVGCPG","inchi_key":"AQNDDEOPVVGCPG-UHFFFAOYSA-N","canonical_smiles":"COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1","pubchem_cid":"104769","MOA":"Adrenergic receptor antagonist"}
{"pert_id":"BRD-A07440155","pert_iname":"labetalol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SGUAFYQXFOLMHL","inchi_key":"SGUAFYQXFOLMHL-UHFFFAOYSA-N","canonical_smiles":"CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O","pubchem_cid":"3869","MOA":"Adrenergic receptor antagonist","chembl_id":"CHEMBL429","molregno":1785,"PubChem_ID":"3869","DrugBank_ID":"DB00598","pref_name":"LABETALOL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1984,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"availability_type":1,"usan_stem":"-alol","usan_stem_definition":"combined alpha and beta receptors","indication_class":"Anti-Adrenergic (beta-receptor); Anti-Adrenergic (alpha-receptor)","withdrawn_flag":0}
{"pert_id":"BRD-A07614565","pert_iname":"BRD-A07614565","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RDJCCPWITAIICC","inchi_key":"RDJCCPWITAIICC-UHFFFAOYSA-N","canonical_smiles":"CCOc1ccc(cc1)C(Nc2cccnc2)c3cc(Cl)c4cccnc4c3O","pubchem_cid":"2977478","chembl_id":"CHEMBL599255","molregno":597143,"PubChem_ID":"2977478","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A07765530","pert_iname":"epinephrine-(racemic)","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UCTWMZQNUQWSLP","inchi_key":"UCTWMZQNUQWSLP-UHFFFAOYSA-N","canonical_smiles":"CNCC(O)c1ccc(O)c(O)c1","pubchem_cid":"5924"}
{"pert_id":"BRD-A07780951","pert_iname":"orciprenaline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LMOINURANNBYCM","inchi_key":"LMOINURANNBYCM-UHFFFAOYSA-N","canonical_smiles":"CC(C)NCC(O)c1cc(O)cc(O)c1","pubchem_cid":"9861452","MOA":"Adrenergic receptor agonist","chembl_id":"CHEMBL1200812","molregno":674763,"PubChem_ID":"9861452","pref_name":"METAPROTERENOL SULFATE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"indication_class":"Bronchodilator","withdrawn_flag":0}
{"pert_id":"BRD-A07824748","pert_iname":"flavanone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZONYXWQDUYMKFB","inchi_key":"ZONYXWQDUYMKFB-UHFFFAOYSA-N","canonical_smiles":"O=C1CC(Oc2ccccc12)c3ccccc3","pubchem_cid":"10251","MOA":"11-beta-HSD1 inhibitor","chembl_id":"CHEMBL274318","molregno":6284,"PubChem_ID":"10251","pref_name":"FLAVANONE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A07875874","pert_iname":"cilnidipine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"KJEBULYHNRNJTE","inchi_key":"KJEBULYHNRNJTE-UHFFFAOYSA-N","canonical_smiles":"COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCC=Cc3ccccc3)C","pubchem_cid":"5282138","MOA":"Calcium channel blocker","chembl_id":"CHEMBL452076","molregno":451341,"PubChem_ID":"5282138","DrugBank_ID":"DB09232","pref_name":"CILNIDIPINE","max_phase":3,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-dipine","usan_stem_definition":"phenylpyridine vasodilators (nifedipine type)","withdrawn_flag":0,"mechanism_of_action":"Voltage-gated L-type calcium channel blocker","action_type":"BLOCKER","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"selectivity_comment":"Also active against N-type calcium channels which may contribute to additional organ protective effects."}
{"pert_id":"BRD-A07893380","pert_iname":"vigabatrin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PJDFLNIOAUIZSL","inchi_key":"PJDFLNIOAUIZSL-UHFFFAOYSA-N","canonical_smiles":"NC(CCC(O)=O)C=C","pubchem_cid":"5665"}
{"pert_id":"BRD-A07932845","pert_iname":"metitepine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RLJFTICUTYVZDG","inchi_key":"RLJFTICUTYVZDG-UHFFFAOYSA-N","canonical_smiles":"CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1","pubchem_cid":"4106","chembl_id":"CHEMBL93240","molregno":154798,"PubChem_ID":"4106","pref_name":"METITEPINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-pine","usan_stem_definition":"tricyclic compounds","withdrawn_flag":0}
{"pert_id":"BRD-A08003242","pert_iname":"rhodomyrtoxin-b","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SGFCERQKVVMREN","inchi_key":"SGFCERQKVVMREN-UHFFFAOYSA-N","canonical_smiles":"CCC(C)C(=O)c1c(O)c(C)c2oc3c(C)c(O)c(C(=O)C(C)CC)c(O)c3c2c1O","pubchem_cid":"3270699","MOA":"sodium fluorescein uptake inhibitor","chembl_id":"CHEMBL1552997","molregno":976881,"PubChem_ID":"3270699","pref_name":"RHODOMYRTOXIN B","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A08027849","pert_iname":"deoxycholic-acid","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KXGVEGMKQFWNSR","inchi_key":"KXGVEGMKQFWNSR-DVASNTQSSA-N","canonical_smiles":"CC(CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","pubchem_cid":"6742","MOA":"Biliverdin reductase A activator; G protein-coupled receptor agonist; Unidentified pharmacological activity"}
{"pert_id":"BRD-A08187463","pert_iname":"racecadotril","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ODUOJXZPIYUATO","inchi_key":"ODUOJXZPIYUATO-UHFFFAOYSA-N","canonical_smiles":"CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1","pubchem_cid":"107751","MOA":"Enkephalinase inhibitor","chembl_id":"CHEMBL2103772","molregno":1376042,"PubChem_ID":"107751","DrugBank_ID":"DB11696","pref_name":"RACECADOTRIL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-1,"usan_stem":"-tril","usan_stem_definition":"endopeptidase inhibitors","withdrawn_flag":0}
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{"pert_id":"BRD-A14208071","pert_iname":"oxyphenonium","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GFRUPHOKLBPHTQ","inchi_key":"GFRUPHOKLBPHTQ-UHFFFAOYSA-N","canonical_smiles":"CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c1ccccc1","pubchem_cid":"5748","MOA":"Cholinergic receptor antagonist","chembl_id":"CHEMBL1200906","molregno":674857,"PubChem_ID":"5748","pref_name":"OXYPHENONIUM BROMIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1982,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":0,"usan_stem":"-onium","usan_stem_definition":"quaternary ammonium derivatives","withdrawn_flag":0,"mechanism_of_action":"Muscarinic acetylcholine receptor M1 antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Role in regulating gastric secretion, M1 likely involved"}
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{"pert_id":"BRD-A19374631","pert_iname":"vinpocetine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DDNCQMVWWZOMLN","inchi_key":"DDNCQMVWWZOMLN-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)C1=CC2(CC)CCCN3CCc4c(C32)n1c5ccccc45","pubchem_cid":"5673","MOA":"Phosphodiesterase inhibitor; Sodium channel blocker","chembl_id":"CHEMBL1367774","molregno":791658,"PubChem_ID":"5673","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A19500257","pert_iname":"geldanamycin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QTQAWLPCGQOSGP","inchi_key":"QTQAWLPCGQOSGP-VDYWNIEOSA-N","canonical_smiles":"COC1CC(C)CC2=C(OC)C(=O)C=C(NC(=O)\\C(C)=C\\C=C\\C(OC)C(OC(N)=O)\\C(C)=C\\C(C)C1O)C2=O","pubchem_cid":"3460","MOA":"HSP inhibitor"}
{"pert_id":"BRD-A19633847","pert_iname":"perhexiline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CYXKNKQEMFBLER","inchi_key":"CYXKNKQEMFBLER-UHFFFAOYSA-N","canonical_smiles":"C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1","pubchem_cid":"5284439","MOA":"Carnitine palmitoyltransferase inhibitor","chembl_id":"CHEMBL1334033","molregno":757917,"PubChem_ID":"5284439","pref_name":"PERHEXILINE MALEATE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1974,"oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1966,"availability_type":-2,"indication_class":"Vasodilator (coronary)","withdrawn_flag":1,"withdrawn_year":1985,"withdrawn_country":"Spain; United Kingdom","withdrawn_reason":"Neurologic and Hepatic Toxicities","withdrawn_class":"Hepatotoxicity; Neurotoxicity","mechanism_of_action":"Carnitine O-palmitoyltransferase 1, muscle isoform inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"It inhibits the mitochondrial enzyme carnitine palmitoyltransferase 1 (CPT-1) and to a lesser extent CPT-2. This causes a shift in myocardial substrate utilisation from long chain fatty acids to carbohydrates, resulting in increased glucose and lactate utilization and increased ATP production for the same O2 consumption as before and consequently increases myocardial efficiency. Perhexiline maleate was also found to inhibit the activity of Mammalian target of rapamycin complex 1 (mTORC1).","selectivity_comment":"It inhibits rat heart and liver carnitine palmitoyltransferase 1 (CPT1) (IC50 = 77 and 148 µM, respectively) and rat heart CPT2 (IC50 = 79 µM). It reversibly inhibits Mammalian target of rapamycin complex 1 (mTORC1) at micromolar concentrations."}
{"pert_id":"BRD-A19661776","pert_iname":"mianserin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UEQUQVLFIPOEMF","inchi_key":"UEQUQVLFIPOEMF-UHFFFAOYSA-N","canonical_smiles":"CN1CCN2C(C1)c1ccccc1Cc1ccccc21","pubchem_cid":"4184","MOA":"Serotonin receptor antagonist","chembl_id":"CHEMBL6437","molregno":573,"PubChem_ID":"4184","DrugBank_ID":"DB06148","pref_name":"MIANSERIN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1968,"availability_type":-1,"usan_stem":"-anserin","usan_stem_definition":"serotonin 5-HT2 receptor antagonists","indication_class":"Antihistaminic; Serotonin Inhibitor","withdrawn_flag":0}
{"pert_id":"BRD-A19736161","pert_iname":"ondansetron","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FELGMEQIXOGIFQ","inchi_key":"FELGMEQIXOGIFQ-UHFFFAOYSA-N","canonical_smiles":"Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C","pubchem_cid":"4595","MOA":"Serotonin receptor antagonist","chembl_id":"CHEMBL46","molregno":3183,"PubChem_ID":"4595","DrugBank_ID":"DB00904","pref_name":"ONDANSETRON","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1991,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1989,"availability_type":1,"usan_stem":"-setron","usan_stem_definition":"serotonin 5-HT3 antagonists","indication_class":"Anti-Anxiety Agent; Anti-Emetic; Antischizophrenic","withdrawn_flag":0,"mechanism_of_action":"Serotonin 3a (5-HT3a) receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"selectivity_comment":"Selective"}
{"pert_id":"BRD-A19918940","pert_iname":"lomatin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UJSHBYQGQRPVNO","inchi_key":"UJSHBYQGQRPVNO-UHFFFAOYSA-N","canonical_smiles":"CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O","pubchem_cid":"600670","chembl_id":"CHEMBL1414353","molregno":838237,"PubChem_ID":"600670","pref_name":"LOMATIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A19928752","pert_iname":"BRD-A19928752","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BQPRBYLILBRUER","inchi_key":"BQPRBYLILBRUER-UHFFFAOYSA-N","canonical_smiles":"CC(Sc1ccc(C)cc1)C(=O)Nc2nc[nH]n2","pubchem_cid":"2977752","chembl_id":"CHEMBL1599992","molregno":1023876,"PubChem_ID":"2977752","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A19952358","pert_iname":"closantel","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JMPFSEBWVLAJKM","inchi_key":"JMPFSEBWVLAJKM-UHFFFAOYSA-N","canonical_smiles":"Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O","pubchem_cid":"42574","chembl_id":"CHEMBL12131","molregno":10221,"PubChem_ID":"42574","pref_name":"CLOSANTEL","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"usan_stem":"-antel","usan_stem_definition":"anthelmintics (undefined group)","indication_class":"Anthelmintic","withdrawn_flag":0}
{"pert_id":"BRD-A20119038","pert_iname":"mecamylamine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IMYZQPCYWPFTAG","inchi_key":"IMYZQPCYWPFTAG-UHFFFAOYSA-N","canonical_smiles":"CNC1(C)C2CCC(C2)C1(C)C","pubchem_cid":"4032","chembl_id":"CHEMBL267936","molregno":880,"PubChem_ID":"4032","DrugBank_ID":"DB00657","pref_name":"MECAMYLAMINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1956,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"indication_class":"Antihypertensive","withdrawn_flag":0}
{"pert_id":"BRD-A20126139","pert_iname":"medrysone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GZENKSODFLBBHQ","inchi_key":"GZENKSODFLBBHQ-IENIWFQZSA-N","canonical_smiles":"C[C@H]1CC2C3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)CCC(=O)C=C12","pubchem_cid":"5702081","MOA":"Glucocorticoid receptor agonist"}
{"pert_id":"BRD-A20131130","pert_iname":"2',5'-dideoxyadenosine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FFHPXOJTVQDVMO","inchi_key":"FFHPXOJTVQDVMO-UHFFFAOYSA-N","canonical_smiles":"CC1OC(CC1O)n1cnc2c(N)ncnc12","pubchem_cid":"3044","MOA":"Adenylyl cyclase inhibitor"}
{"pert_id":"BRD-A20239487","pert_iname":"atenolol-(+/-)","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"METKIMKYRPQLGS","inchi_key":"METKIMKYRPQLGS-UHFFFAOYSA-N","canonical_smiles":"CC(C)NCC(O)COc1ccc(CC(N)=O)cc1","pubchem_cid":"2249","chembl_id":"CHEMBL24","molregno":1279,"PubChem_ID":"2249","DrugBank_ID":"DB00335","pref_name":"ATENOLOL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1981,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"availability_type":1,"usan_stem":"-olol","usan_stem_definition":"beta-blockers (propranolol type)","indication_class":"Anti-Adrenergic (beta-receptor)","withdrawn_flag":0,"mechanism_of_action":"Beta-1 adrenergic receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A20243730","pert_iname":"danazol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"POZRVZJJTULAOH","inchi_key":"POZRVZJJTULAOH-UHFFFAOYSA-N","canonical_smiles":"CC12CCC3C(CCC4=Cc5oncc5CC34C)C2CCC1(O)C#C","pubchem_cid":"28417","MOA":"Estrogen receptor antagonist; Progesterone receptor agonist","chembl_id":"CHEMBL1479","molregno":405364,"PubChem_ID":"28417","DrugBank_ID":"DB01406","pref_name":"DANAZOL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1976,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1968,"availability_type":1,"indication_class":"Anterior Pituitary Suppressant","withdrawn_flag":0,"mechanism_of_action":"Androgen Receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A20348246","pert_iname":"chlormezanone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WEQAYVWKMWHEJO","inchi_key":"WEQAYVWKMWHEJO-UHFFFAOYSA-N","canonical_smiles":"CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O","pubchem_cid":"2717","chembl_id":"CHEMBL1200714","molregno":674665,"PubChem_ID":"2717","DrugBank_ID":"DB01178","pref_name":"CHLORMEZANONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1960,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"withdrawn_flag":1,"withdrawn_year":1996,"withdrawn_country":"United States; European Union; Germany; France; Japan; Pakistan; Portugal; United Arab Emirates; Zimbabwe; Saudi Arabia","withdrawn_reason":"Hepatotoxicity; Steven-Johnson Syndrome; Toxic Epidermal Necrolysis","withdrawn_class":"Dermatological toxicity; Hepatotoxicity","mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Mode of action not fully understood; it seems to act as a muscle relaxant by interfering with GABA A receptors, sodium channels and calcium channels"}
{"pert_id":"BRD-A20488704","pert_iname":"BRD-A20488704","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KOOFWUOQNYFDJY","inchi_key":"KOOFWUOQNYFDJY-KWFCYANNSA-N","canonical_smiles":"CC1(C)C(CCC2(C)C3CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C=C)C=C3CCC12)O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O","pubchem_cid":"24177547"}
{"pert_id":"BRD-A20527803","pert_iname":"IB-MECA","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HUJXGQILHAUCCV","inchi_key":"HUJXGQILHAUCCV-UHFFFAOYSA-N","canonical_smiles":"CNC(=O)C1OC(C(O)C1O)n2cnc3c(NCc4cccc(I)c4)ncnc23","pubchem_cid":"3668","MOA":"Adenosine receptor agonist"}
{"pert_id":"BRD-A20589515","pert_iname":"dihydroxyphenylglycine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HOOWCUZPEFNHDT","inchi_key":"HOOWCUZPEFNHDT-UHFFFAOYSA-N","canonical_smiles":"NC(C(O)=O)c1cc(O)cc(O)c1","pubchem_cid":"108001","MOA":"Glutamate receptor agonist","chembl_id":"CHEMBL66105","molregno":106109,"PubChem_ID":"108001","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A20697603","pert_iname":"thiostrepton","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NSFFHOGKXHRQEW","inchi_key":"NSFFHOGKXHRQEW-DVRIZHICSA-N","canonical_smiles":"CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C2NC(=O)c3csc(n3)C(NC(=O)C3CSC(=N3)\\C(NC(=O)C(NC(=O)c3csc(n3)C3(CCC(=NC3c3csc2n3)c2nc(cs2)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)=C/C)C(C)(O)C(C)O)C(C)O","pubchem_cid":"16129995","MOA":"FOXM1 inhibitor; Protein synthesis inhibitor"}
{"pert_id":"BRD-A20794617","pert_iname":"vancomycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MYPYJXKWCTUITO","inchi_key":"MYPYJXKWCTUITO-VRLGOXIYSA-N","canonical_smiles":"CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@H]5NC(=O)[C@@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1OC(CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2","pubchem_cid":"73707482"}
{"pert_id":"BRD-A20846977","pert_iname":"VU-0447126-2","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IDQTVKSYFJYROY","inchi_key":"IDQTVKSYFJYROY-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(NC(=O)C2CC3CCC2C3)c(C)c1","pubchem_cid":"3473417","chembl_id":"CHEMBL1887619","molregno":1228190,"PubChem_ID":"3473417","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A20862232","pert_iname":"isosalsoline","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CBMULJVNWNTWJM","inchi_key":"CBMULJVNWNTWJM-UHFFFAOYSA-N","canonical_smiles":"COc1cc2CCNC(C)c2cc1O","pubchem_cid":"46697","chembl_id":"CHEMBL1196096","molregno":670046,"PubChem_ID":"46697","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A20958854","pert_iname":"dopamine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CQASRCDNLNMIJY","inchi_key":"CQASRCDNLNMIJY-ZAOAHOKWSA-N","canonical_smiles":"NCCc1ccc(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c(O)c1","pubchem_cid":"53734236","MOA":"Dopamine receptor agonist"}
{"pert_id":"BRD-A20968261","pert_iname":"WAY-213613","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BNYDDAAZMBUFRG","inchi_key":"BNYDDAAZMBUFRG-UHFFFAOYSA-N","canonical_smiles":"NC(CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(=O)O","pubchem_cid":"24868316","MOA":"Glutamate inhibitor","chembl_id":"CHEMBL198368","molregno":330710,"PubChem_ID":"24868316","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A21072306","pert_iname":"merbromin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GWQCGQYPYHOMSJ","inchi_key":"GWQCGQYPYHOMSJ-UHFFFAOYSA-M","canonical_smiles":"O[Hg]c1c(O)c(Br)cc2c1Oc3cc(O)c(Br)cc3C42OC(=O)c5ccccc54","pubchem_cid":"4564401"}
{"pert_id":"BRD-A21329147","pert_iname":"hemicholinium-3","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JIWUESGGKYLPPG","inchi_key":"JIWUESGGKYLPPG-UHFFFAOYSA-N","canonical_smiles":"C[N+]1(C)CCOC(O)(C1)c2ccc(cc2)c3ccc(cc3)C4(O)C[N+](C)(C)CCO4","pubchem_cid":"6852385"}
{"pert_id":"BRD-A21406558","pert_iname":"BRD-A21406558","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FPHKPEIWQPURTC","inchi_key":"FPHKPEIWQPURTC-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1COc1c(C)cccc1C)C1Nc2ccccc2C(=O)N1Cc1cccs1","pubchem_cid":"50897786"}
{"pert_id":"BRD-A21481508","pert_iname":"BRD-A21481508","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"TVTNSEWSTITOSK","inchi_key":"TVTNSEWSTITOSK-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(CC2NCCC3=CC(=O)CCC23)cc1O","pubchem_cid":"24747278","chembl_id":"CHEMBL1863971","molregno":1204542,"PubChem_ID":"24747278","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A21584801","pert_iname":"brivanib","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WCWUXEGQKLTGDX","inchi_key":"WCWUXEGQKLTGDX-UHFFFAOYSA-N","canonical_smiles":"CC(O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C","pubchem_cid":"11451527","MOA":"FGFR inhibitor; VEGFR inhibitor","chembl_id":"CHEMBL2135161","molregno":1407112,"PubChem_ID":"11451527","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A21723284","pert_iname":"naltriben","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZHVWWEYETMPAMX","inchi_key":"ZHVWWEYETMPAMX-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc2CC3N(CC4CC4)CCC5(C6Oc1c25)C3(O)Cc7c6oc8ccccc78","pubchem_cid":"4429","MOA":"Opioid receptor antagonist"}
{"pert_id":"BRD-A21812217","pert_iname":"BRD-A21812217","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KUTPFZWXNQRAHY","inchi_key":"KUTPFZWXNQRAHY-UHFFFAOYSA-N","canonical_smiles":"ON1C(Nc2ccccc2C1=O)c3ccc(o3)c4ccc(C#N)cc4","pubchem_cid":"44142077","chembl_id":"CHEMBL1590257","molregno":1014141,"PubChem_ID":"44142077","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A21858158","pert_iname":"praziquantel","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FSVJFNAIGNNGKK","inchi_key":"FSVJFNAIGNNGKK-UHFFFAOYSA-N","canonical_smiles":"O=C(C1CCCCC1)N1CC2N(CCc3ccccc23)C(=O)C1","pubchem_cid":"4891","MOA":"Anthelmintic","chembl_id":"CHEMBL976","molregno":99024,"PubChem_ID":"4891","DrugBank_ID":"DB01058","pref_name":"PRAZIQUANTEL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1982,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1978,"availability_type":1,"usan_stem":"-antel","usan_stem_definition":"anthelmintics: 2-deoxoparaherquamide A derivatives","indication_class":"Anthelmintic (veterinary)","withdrawn_flag":0,"mechanism_of_action":"Voltage-activated calcium channel beta 1 subunit blocker","action_type":"BLOCKER","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A22032524","pert_iname":"amlodipine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HTIQEAQVCYTUBX","inchi_key":"HTIQEAQVCYTUBX-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN","pubchem_cid":"2162","MOA":"Calcium channel blocker","chembl_id":"CHEMBL1491","molregno":418414,"PubChem_ID":"2162","DrugBank_ID":"DB00381","pref_name":"AMLODIPINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1992,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1986,"availability_type":1,"usan_stem":"-dipine","usan_stem_definition":"phenylpyridine vasodilators (nifedipine type)","indication_class":"Antihypertensive; Anti-Anginal","withdrawn_flag":0}
{"pert_id":"BRD-A22101059","pert_iname":"metrifonate","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NFACJZMKEDPNKN","inchi_key":"NFACJZMKEDPNKN-UHFFFAOYSA-N","canonical_smiles":"COP(=O)(OC)C(O)C(Cl)(Cl)Cl","pubchem_cid":"5853","chembl_id":"CHEMBL167150","molregno":277372,"PubChem_ID":"5853","DrugBank_ID":"DB11473","pref_name":"TRICHLORFON","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1995,"availability_type":-1,"indication_class":"Anthelmintic (veterinary)","withdrawn_flag":0}
{"pert_id":"BRD-A22143024","pert_iname":"estropipate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JKKFKPJIXZFSSB","inchi_key":"JKKFKPJIXZFSSB-GUZDXLFXSA-N","canonical_smiles":"C[C@]12CCC3C(CCc4cc(OS(O)(=O)=O)ccc34)C1CCC2=O","pubchem_cid":"5284555","MOA":"Estrogen receptor agonist","chembl_id":"CHEMBL1200980","molregno":674931,"PubChem_ID":"5284555","pref_name":"ESTROPIPATE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1977,"oral":1,"parenteral":0,"topical":1,"natural_product":1,"inorganic_flag":0,"availability_type":1,"usan_stem":"-trop-; estr-","usan_stem_definition":"atropine derivatives; estrogens","indication_class":"Estrogen","withdrawn_flag":0,"mechanism_of_action":"Estrogen receptor alpha agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A22152765","pert_iname":"tridihexethyl","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NPRHVSBSZMAEIN","inchi_key":"NPRHVSBSZMAEIN-UHFFFAOYSA-N","canonical_smiles":"CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c1ccccc1","pubchem_cid":"20298","chembl_id":"CHEMBL1200771","molregno":674722,"PubChem_ID":"20298","pref_name":"TRIDIHEXETHYL CHLORIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1954,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":0,"withdrawn_flag":0,"mechanism_of_action":"Muscarinic acetylcholine receptor M1 antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Role in regulating gastric secretion, M1 likely involved"}
{"pert_id":"BRD-A22256192","pert_iname":"terazosin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VCKUSRYTPJJLNI","inchi_key":"VCKUSRYTPJJLNI-UHFFFAOYSA-N","canonical_smiles":"COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1","pubchem_cid":"44383","MOA":"Adrenergic receptor antagonist"}
{"pert_id":"BRD-A22272113","pert_iname":"BRD-A22272113","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KWMYIEZXXJZBPU","inchi_key":"KWMYIEZXXJZBPU-WGDLNXRISA-N","canonical_smiles":"CCCC1=C(/C=C/C(=O)O)C(=O)C(O1)C(C)(C)C2OC(=C(/C=C/C(=O)O)C2=O)CCC","pubchem_cid":"24069148"}
{"pert_id":"BRD-A22305049","pert_iname":"benfluorex","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CJAVTWRYCDNHSM","inchi_key":"CJAVTWRYCDNHSM-UHFFFAOYSA-N","canonical_smiles":"CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccccc1","pubchem_cid":"2318","chembl_id":"CHEMBL400599","molregno":418415,"PubChem_ID":"2318","DrugBank_ID":"DB09022","pref_name":"BENFLUOREX","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","first_approval":1974,"oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"usan_stem":"-orex","usan_stem_definition":"anorexiants","withdrawn_flag":1,"withdrawn_year":2009,"withdrawn_country":"European Union","withdrawn_reason":"Cardiac valvulopathy; Pulmonary arterial hypertension","withdrawn_class":"Cardiotoxicity; Respiratory toxicity","mechanism_of_action":"Acyl coenzyme A:cholesterol acyltransferase 1 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Benfluorex and its metabolite have a great affinity for hydrophobic domains such us lipid bilayers. Both compounds can be incorporated into cellular membranes and modify their physical and biological properties. As a consequence they inhibit the activity of several membrane-bound enzymes involved with lipid metabolism: Acyl Coenzyme A: cholesterol-acyltransferase , phosphatidate phosphohydrolase and diacylglycerol acyltransferase. Some in vitro experiments focusing on carbohydrate metabolism have suggested that the antihyperglycemicactivity of benfluorex results from a postinsulin binding effect(s).","selectivity_comment":"High affinity to 5-HT2B receptors (TID: 227 /  UniProt ID: P41595) with agonist properties on these receptors. This mechanism is responsible for the induce valvular heart disease caused by benfluorex."}
{"pert_id":"BRD-A22380646","pert_iname":"pantoprazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IQPSEEYGBUAQFF","inchi_key":"IQPSEEYGBUAQFF-UHFFFAOYSA-N","canonical_smiles":"COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC","pubchem_cid":"4679","MOA":"ATPase inhibitor","chembl_id":"CHEMBL1502","molregno":419598,"PubChem_ID":"4679","DrugBank_ID":"DB00213","pref_name":"PANTOPRAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2000,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1991,"availability_type":1,"usan_stem":"-prazole","usan_stem_definition":"antiulcer agents (benzimidazole derivatives)","indication_class":"Anti-Ulcerative","withdrawn_flag":0}
{"pert_id":"BRD-A22514244","pert_iname":"BRD-A22514244","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LWEYITSKHCPNSX","inchi_key":"LWEYITSKHCPNSX-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1OC)c2nnn(CC(=O)N(C(C)C(=O)NC3CCCC3)C4CCCCC4)n2","pubchem_cid":"650573","chembl_id":"CHEMBL1478888","molregno":902772,"PubChem_ID":"650573","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A22684332","pert_iname":"procaterol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FKNXQNWAXFXVNW","inchi_key":"FKNXQNWAXFXVNW-UHFFFAOYSA-N","canonical_smiles":"CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12","pubchem_cid":"4916","MOA":"Adrenergic receptor agonist","chembl_id":"CHEMBL160519","molregno":262509,"PubChem_ID":"4916","pref_name":"PROCATEROL","max_phase":3,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1980,"usan_stem":"-terol","usan_stem_definition":"bronchodilators (phenethylamine derivatives)","indication_class":"Bronchodilator","withdrawn_flag":0}
{"pert_id":"BRD-A22707317","pert_iname":"SB-205384","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JDTZAGLGBRRCJT","inchi_key":"JDTZAGLGBRRCJT-UHFFFAOYSA-N","canonical_smiles":"CC#CCOC(=O)c1c(C)nc2sc3CC(O)CCc3c2c1N","pubchem_cid":"197690","MOA":"GABA receptor modulator","chembl_id":"CHEMBL1256667","molregno":705657,"PubChem_ID":"197690","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A22713669","pert_iname":"BVT-948","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"AJVXVYTVAAWZAP","inchi_key":"AJVXVYTVAAWZAP-UHFFFAOYSA-N","canonical_smiles":"CC1(C)C2C(=NC1=O)c3ccccc3C(=O)C2=O","pubchem_cid":"6604934","MOA":"Tyrosine phosphatase inhibitor"}
{"pert_id":"BRD-A22740840","pert_iname":"oxytetracycline","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"TUEWQXNXQFRUTK","inchi_key":"TUEWQXNXQFRUTK-NWGWHKHOSA-N","canonical_smiles":"CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O","pubchem_cid":"24981350"}
{"pert_id":"BRD-A22769835","pert_iname":"homochlorcyclizine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WEUCDJCFJHYFRL","inchi_key":"WEUCDJCFJHYFRL-UHFFFAOYSA-N","canonical_smiles":"CN1CCCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1","pubchem_cid":"3627","MOA":"Antihistamine","chembl_id":"CHEMBL1515447","molregno":939331,"PubChem_ID":"3627","pref_name":"HOMOCHLORCYCLIZINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-A22783572","pert_iname":"vinblastine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SLIRURSWQCRWFG","inchi_key":"SLIRURSWQCRWFG-UHFFFAOYSA-N","canonical_smiles":"CCC1(O)CC2CN(C1)CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C86CCN9CC=CC(CC)(C98)C(C(=O)OC)C7(O)C(=O)OC","pubchem_cid":"5667","MOA":"Microtubule inhibitor; Tubulin inhibitor"}
{"pert_id":"BRD-A22844106","pert_iname":"tenoxicam","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OTGJPAOGHQFBMI","inchi_key":"OTGJPAOGHQFBMI-UHFFFAOYSA-N","canonical_smiles":"CN1C(C(=O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O","pubchem_cid":"54677971","MOA":"Cyclooxygenase inhibitor","chembl_id":"CHEMBL302795","molregno":112102,"PubChem_ID":"54677971","DrugBank_ID":"DB00469","pref_name":"TENOXICAM","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1987,"availability_type":-1,"usan_stem":"-icam","usan_stem_definition":"anti-inflammatory agents (isoxicam type)","indication_class":"Anti-Inflammatory","withdrawn_flag":0}
{"pert_id":"BRD-A22897758","pert_iname":"pinacidil","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IVVNZDGDKPTYHK","inchi_key":"IVVNZDGDKPTYHK-UHFFFAOYSA-N","canonical_smiles":"CC(C(C)(C)C)\\N=C(/NC#N)Nc1ccncc1","pubchem_cid":"4826","MOA":"ATP channel activator; Potassium channel activator","chembl_id":"CHEMBL1159","molregno":187515,"PubChem_ID":"4826","DrugBank_ID":"DB06762","pref_name":"PINACIDIL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1989,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1984,"availability_type":0,"usan_stem":"-dil","usan_stem_definition":"vasodilators (undefined group)","indication_class":"Antihypertensive","withdrawn_flag":0}
{"pert_id":"BRD-A22997170","pert_iname":"CCT036477","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IFOHRIXRQPOHQZ","inchi_key":"IFOHRIXRQPOHQZ-UHFFFAOYSA-N","canonical_smiles":"Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(Cl)cc1","pubchem_cid":"3634881"}
{"pert_id":"BRD-A23034328","pert_iname":"clindamycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KDLRVYVGXIQJDK","inchi_key":"KDLRVYVGXIQJDK-SSDYFQDUSA-N","canonical_smiles":"CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)C1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O","pubchem_cid":"6419884","chembl_id":"CHEMBL1452303","molregno":876187,"PubChem_ID":"6419884","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A23072235","pert_iname":"pheniramine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IJHNSHDBIRRJRN","inchi_key":"IJHNSHDBIRRJRN-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCC(c1ccccc1)c1ccccn1","pubchem_cid":"4761","MOA":"Histamine receptor antagonist","chembl_id":"CHEMBL1193","molregno":208661,"PubChem_ID":"4761","DrugBank_ID":"DB01620","pref_name":"PHENIRAMINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1994,"oral":0,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1988,"availability_type":2,"withdrawn_flag":0}
{"pert_id":"BRD-A23290232","pert_iname":"westcort","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FZCHYNWYXKICIO","inchi_key":"FZCHYNWYXKICIO-UHFFFAOYSA-N","canonical_smiles":"CCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO","pubchem_cid":"5225092","MOA":"Glucocorticoid receptor agonist"}
{"pert_id":"BRD-A23359898","pert_iname":"sibutramine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UNAANXDKBXWMLN","inchi_key":"UNAANXDKBXWMLN-UHFFFAOYSA-N","canonical_smiles":"CC(C)CC(N(C)C)C1(CCC1)c1ccc(Cl)cc1","pubchem_cid":"64764","MOA":"Serotonin reuptake inhibitor"}
{"pert_id":"BRD-A23637604","pert_iname":"oxymetholone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"DLZUBMGMHUNDLF","inchi_key":"DLZUBMGMHUNDLF-CVSXEEBHSA-N","canonical_smiles":"C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C(C[C@]4(C)[C@H]3CC[C@]12C)C=O","pubchem_cid":"3032303","MOA":"Androgen receptor agonist"}
{"pert_id":"BRD-A23683907","pert_iname":"NAS-181","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RTKDBEOSPDFLGD","inchi_key":"RTKDBEOSPDFLGD-UHFFFAOYSA-N","canonical_smiles":"C(Oc1cccc2C=C(CN3CCOCC3)COc12)C4CNCCO4","pubchem_cid":"4233538","MOA":"Serotonin receptor antagonist","chembl_id":"CHEMBL57406","molregno":91028,"PubChem_ID":"4233538","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A23689620","pert_iname":"avermectin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RRZXIRBKKLTSOM","inchi_key":"RRZXIRBKKLTSOM-WXRCDTAHSA-N","canonical_smiles":"CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)C(O[C@H]4C[C@H](OC)C(O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@H]5[C@H](O)C(C)=C[C@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C","pubchem_cid":"73707505"}
{"pert_id":"BRD-A23712469","pert_iname":"bacitracin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CLKOFPXJLQSYAH","inchi_key":"CLKOFPXJLQSYAH-RNHDWVCBSA-N","canonical_smiles":"CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC","pubchem_cid":"6714010","chembl_id":"CHEMBL1868381","molregno":1208952,"PubChem_ID":"6714010","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A23723433","pert_iname":"paclitaxel","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RCINICONZNJXQF","inchi_key":"RCINICONZNJXQF-UHFFFAOYSA-N","canonical_smiles":"CC(=O)OC1C2=C(C)C(CC(O)(C(OC(=O)c3ccccc3)C4C5(COC5CC(O)C4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccccc7","pubchem_cid":"4666","MOA":"Tubulin inhibitor"}
{"pert_id":"BRD-A23747351","pert_iname":"sirtinol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UXJFDYIHRJGPFS","inchi_key":"UXJFDYIHRJGPFS-WPWMEQJKSA-N","canonical_smiles":"CC(NC(=O)c1ccccc1\\N=C\\c1c(O)ccc2ccccc12)c1ccccc1","pubchem_cid":"5717148"}
{"pert_id":"BRD-A23770159","pert_iname":"sirolimus","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QFJCIRLUMZQUOT","inchi_key":"QFJCIRLUMZQUOT-GWUMUYGYSA-N","canonical_smiles":"CO[C@@H]1CC(CC(C)[C@@H]2CC(=O)[C@H](C)\\C=C(C)\\[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@H](C)\\C=C\\C=C\\C=C(C)/[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O","pubchem_cid":"73707374","MOA":"MTOR inhibitor"}
{"pert_id":"BRD-A23801136","pert_iname":"rifabutin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KTYFUEQGJABZDI","inchi_key":"KTYFUEQGJABZDI-OUQGXSTASA-N","canonical_smiles":"CCC(C)N1CCC2(CC1)NC3=C4NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)C=CO[C@@]5(C)Oc6c(C5=O)c(C3=N2)c(C4=O)c(O)c6C)C","pubchem_cid":"5482874","MOA":"Protein synthesis inhibitor"}
{"pert_id":"BRD-A24021119","pert_iname":"BRD-A24021119","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VNAWUBPFFPSYKR","inchi_key":"VNAWUBPFFPSYKR-UHFFFAOYSA-N","canonical_smiles":"CC(=O)NC(c1cccs1)c2cc(F)c3cccnc3c2O","pubchem_cid":"44142351","chembl_id":"CHEMBL1394624","molregno":818508,"PubChem_ID":"44142351","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A24054354","pert_iname":"BRD-A24054354","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XAFSFXYJOJWLJD","inchi_key":"XAFSFXYJOJWLJD-UHFFFAOYSA-N","canonical_smiles":"CCN1CCN(CC1)C(c2cccnc2)c3cc(Cl)c4cccnc4c3O","pubchem_cid":"3516032","chembl_id":"CHEMBL1363249","molregno":787133,"PubChem_ID":"3516032","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A24122750","pert_iname":"saclofen","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JYLNVJYYQQXNEK","inchi_key":"JYLNVJYYQQXNEK-UHFFFAOYSA-N","canonical_smiles":"NCC(CS(O)(=O)=O)c1ccc(Cl)cc1","pubchem_cid":"122150","MOA":"GABA receptor antagonist","chembl_id":"CHEMBL312403","molregno":126133,"PubChem_ID":"122150","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A24191444","pert_iname":"ifenprodil","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UYNVMODNBIQBMV","inchi_key":"UYNVMODNBIQBMV-UHFFFAOYSA-N","canonical_smiles":"CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1","pubchem_cid":"6419987","MOA":"Adrenergic receptor antagonist; Glutamate receptor antagonist"}
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{"pert_id":"BRD-A32065788","pert_iname":"BRD-A32065788","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NJGIRBISCGPRPF","inchi_key":"NJGIRBISCGPRPF-KXQOOQHDSA-N","canonical_smiles":"CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(O)(=O)OCCN","pubchem_cid":"446872"}
{"pert_id":"BRD-A32161980","pert_iname":"carbetocin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GOANGOSGGZAITB","inchi_key":"GOANGOSGGZAITB-SVCSGJSHSA-N","canonical_smiles":"CCC(C)[C@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(N)=O)C(C)(C)C","pubchem_cid":"73707428","MOA":"Oxytocin receptor agonist"}
{"pert_id":"BRD-A32164164","pert_iname":"methyllycaconitine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XLTANAWLDBYGFU","inchi_key":"XLTANAWLDBYGFU-UHFFFAOYSA-N","canonical_smiles":"CCN1CC2(COC(=O)c3ccccc3N4C(=O)CC(C)C4=O)CCC(OC)C5(C6CC7C(OC)C6C(O)(CC7OC)C8(O)C(OC)C52)C18","pubchem_cid":"494471","MOA":"Acetylcholine receptor antagonist"}
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{"pert_id":"BRD-A32440707","pert_iname":"BRD-A32440707","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JBBNFGYRYNBDIH","inchi_key":"JBBNFGYRYNBDIH-HEXHOXMLSA-N","canonical_smiles":"CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(O)=O","pubchem_cid":"45934211"}
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{"pert_id":"BRD-A32595718","pert_iname":"BJM-CSC-15","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CISVJPXUQJEUAP","inchi_key":"CISVJPXUQJEUAP-KEBDBYFISA-N","canonical_smiles":"CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)N\\N=C\\c1ccc[nH]1","pubchem_cid":"24816775"}
{"pert_id":"BRD-A32836748","pert_iname":"leu-enkephalin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"URLZCHNOLZSCCA","inchi_key":"URLZCHNOLZSCCA-UHFFFAOYSA-N","canonical_smiles":"CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc2ccc(O)cc2)C(=O)O","pubchem_cid":"461776","MOA":"Opioid receptor agonist"}
{"pert_id":"BRD-A32917072","pert_iname":"BRD-A32917072","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ISXDTMVXKAPUDE","inchi_key":"ISXDTMVXKAPUDE-UHFFFAOYSA-N","canonical_smiles":"COc1cc(O)c(C(CC(=O)N2CCCC(C)C2)c3ccc4OCOc4c3)c(OC)c1","pubchem_cid":"16746402","chembl_id":"CHEMBL1337164","molregno":761048,"PubChem_ID":"16746402","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A32949107","pert_iname":"MRS-1845","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VNIMHBLANIQWNY","inchi_key":"VNIMHBLANIQWNY-UHFFFAOYSA-N","canonical_smiles":"COC(=O)C1=C(C)N(CC#C)C(=C(C1c2cccc(c2)n3oo3)C(=O)CCO)C","pubchem_cid":"5202074","MOA":"Calcium channel blocker"}
{"pert_id":"BRD-A32988684","pert_iname":"heptaminol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LREQLEBVOXIEOM","inchi_key":"LREQLEBVOXIEOM-UHFFFAOYSA-N","canonical_smiles":"CC(N)CCCC(C)(C)O","pubchem_cid":"3590","chembl_id":"CHEMBL2111076","molregno":1383516,"PubChem_ID":"3590","DrugBank_ID":"DB13574","pref_name":"HEPTAMINOL","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-A33070992","pert_iname":"bacampicilline","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PFOLLRNADZZWEX","inchi_key":"PFOLLRNADZZWEX-NTCDUUMSSA-N","canonical_smiles":"CCOC(=O)OC(C)OC(=O)[C@@H]1N2[C@@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O","pubchem_cid":"73707475"}
{"pert_id":"BRD-A33084410","pert_iname":"5'-guanidinonaltrindole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VLNHDKDBGWXJEE","inchi_key":"VLNHDKDBGWXJEE-UHFFFAOYSA-N","canonical_smiles":"NC(=N)Nc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46C7(O)Cc3c2c1)ccc5O","pubchem_cid":"9826034","MOA":"Opioid receptor antagonist","chembl_id":"CHEMBL485832","molregno":447055,"PubChem_ID":"9826034","pref_name":"GUANIDINONALTRINDOLE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A33084557","pert_iname":"tioconazole","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QXHHHPZILQDDPS","inchi_key":"QXHHHPZILQDDPS-UHFFFAOYSA-N","canonical_smiles":"Clc1sccc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl","pubchem_cid":"5482","chembl_id":"CHEMBL1200438","molregno":674389,"PubChem_ID":"5482","DrugBank_ID":"DB01007","pref_name":"TIOCONAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1983,"oral":0,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1978,"availability_type":2,"usan_stem":"-conazole","usan_stem_definition":"systemic antifungals (miconazole type)","indication_class":"Antifungal","withdrawn_flag":0,"mechanism_of_action":"Cytochrome P450 51 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A33168282","pert_iname":"sotalol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZBMZVLHSJCTVON","inchi_key":"ZBMZVLHSJCTVON-UHFFFAOYSA-N","canonical_smiles":"CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1","pubchem_cid":"5253","MOA":"Adrenergic receptor antagonist","chembl_id":"CHEMBL471","molregno":5528,"PubChem_ID":"5253","DrugBank_ID":"DB00489","pref_name":"SOTALOL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1992,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1967,"availability_type":1,"usan_stem":"-alol","usan_stem_definition":"combined alpha and beta receptors","indication_class":"Anti-Adrenergic (beta-receptor)","withdrawn_flag":0}
{"pert_id":"BRD-A33325795","pert_iname":"ST-208960","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YPJLUCAXHFPZJD","inchi_key":"YPJLUCAXHFPZJD-UHFFFAOYSA-N","canonical_smiles":"CC(C)CC(NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O","pubchem_cid":"5466054","chembl_id":"CHEMBL1988256","molregno":1309547,"PubChem_ID":"5466054","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A33447119","pert_iname":"oxfendazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BEZZFPOZAYTVHN","inchi_key":"BEZZFPOZAYTVHN-UHFFFAOYSA-N","canonical_smiles":"COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c1ccccc1","pubchem_cid":"40854","MOA":"Anthelmintic","chembl_id":"CHEMBL42442","molregno":63952,"PubChem_ID":"40854","DrugBank_ID":"DB11446","pref_name":"OXFENDAZOLE","max_phase":2,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"indication_class":"Anthelmintic","withdrawn_flag":0}
{"pert_id":"BRD-A33711280","pert_iname":"metixene","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MJFJKKXQDNNUJF","inchi_key":"MJFJKKXQDNNUJF-UHFFFAOYSA-N","canonical_smiles":"CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1","pubchem_cid":"4167","MOA":"Acetylcholine receptor antagonist","chembl_id":"CHEMBL1201342","molregno":675293,"PubChem_ID":"4167","DrugBank_ID":"DB00340","pref_name":"METHIXENE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1982,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1964,"availability_type":0,"indication_class":"Relaxant (smooth muscle)","withdrawn_flag":0}
{"pert_id":"BRD-A33746814","pert_iname":"avicin-g","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AAGNHEFESXZZGI","inchi_key":"AAGNHEFESXZZGI-IPSIQHQQSA-N","canonical_smiles":"CC1O[C@@H](OCC2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(C)(C)[C@H](C[C@@]6([C@H](O)C[C@@]54C)C(=O)O[C@@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)OC(=O)C(\\CO)=C\\CC[C@](C)(O[C@@H]4OC(C)[C@@H](OC(=O)C(\\C)=C\\CCC(C)(O)C=C)[C@@H](O)[C@@H]4O)C=C)C3(C)C)[C@@H](NC(C)=O)[C@H](O)[C@@H]2O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O","pubchem_cid":"73707604"}
{"pert_id":"BRD-A33749298","pert_iname":"oxyphenbutazone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HFHZKZSRXITVMK","inchi_key":"HFHZKZSRXITVMK-UHFFFAOYSA-N","canonical_smiles":"CCCCC1C(=O)N(N(C1=O)c1ccc(O)cc1)c1ccccc1","pubchem_cid":"4641","chembl_id":"CHEMBL1228","molregno":227917,"PubChem_ID":"4641","DrugBank_ID":"DB03585","pref_name":"OXYPHENBUTAZONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1960,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"usan_stem":"-butazone","usan_stem_definition":"anti-inflammatory analgesics (phenylbutazone type)","indication_class":"Antirheumatic; Anti-Inflammatory","withdrawn_flag":1,"withdrawn_year":1984,"withdrawn_country":"United Kingdom; United States; Germany; France","withdrawn_reason":"Blood Dyscrasis; Steven Johnson Syndrome","withdrawn_class":"Dermatological toxicity; Hematological toxicity"}
{"pert_id":"BRD-A33833419","pert_iname":"TER-14687","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IOXRKHWIYNWYFF","inchi_key":"IOXRKHWIYNWYFF-UHFFFAOYSA-N","canonical_smiles":"CN(C)CC1Cc2ccccc2C1=O","pubchem_cid":"5400","MOA":"Inhibitor of translocation of PKCq in T cells","chembl_id":"CHEMBL3545731","molregno":1927577,"PubChem_ID":"5400","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A34006693","pert_iname":"suprofen","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MDKGKXOCJGEUJW","inchi_key":"MDKGKXOCJGEUJW-UHFFFAOYSA-N","canonical_smiles":"CC(C(O)=O)c1ccc(cc1)C(=O)c1cccs1","pubchem_cid":"5359","chembl_id":"CHEMBL956","molregno":93117,"PubChem_ID":"5359","DrugBank_ID":"DB00870","pref_name":"SUPROFEN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1985,"oral":0,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1974,"availability_type":-2,"usan_stem":"-profen","usan_stem_definition":"anti-inflammatory/analgesic agents (ibuprofen type)","indication_class":"Anti-Inflammatory","withdrawn_flag":1,"withdrawn_year":1987,"withdrawn_country":"United States; United Kingdom; Spain","withdrawn_reason":"Flank pain, decreased kidney function","withdrawn_class":"Musculoskeletal toxicity; Nephrotoxicity","mechanism_of_action":"Cyclooxygenase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A34037822","pert_iname":"KUC107191N","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PXSMEPRWQNYAIL","inchi_key":"PXSMEPRWQNYAIL-UHFFFAOYSA-N","canonical_smiles":"Cn1ccc2c(cc3C4CCC(O4)c3c12)-c1ccc(cc1)C(C)(C)C","pubchem_cid":"51360697","chembl_id":"CHEMBL1865136","molregno":1205707,"PubChem_ID":"51360697","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A34205397","pert_iname":"suloctidil","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BFCDFTHTSVTWOG","inchi_key":"BFCDFTHTSVTWOG-UHFFFAOYSA-N","canonical_smiles":"CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1","pubchem_cid":"5354","MOA":"Adrenergic receptor antagonist","chembl_id":"CHEMBL404849","molregno":418491,"PubChem_ID":"5354","pref_name":"SULOCTIDIL","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","first_approval":1979,"oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1978,"availability_type":-2,"usan_stem":"-dil","usan_stem_definition":"vasodilators (undefined group)","withdrawn_flag":1,"withdrawn_year":1985,"withdrawn_country":"Spain; Germany; France","withdrawn_reason":"Hepatotoxicity","withdrawn_class":"Hepatotoxicity","mechanism_of_action":"Voltage-gated calcium channel blocker","action_type":"BLOCKER","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Suloctidil is a molecule with calcium antagonist properties and anti-ionophoretic effect. The stimulatory effect of suloctidil on the release of the platelet inhibitor PGI2 from the vascular endothelium might contribute to the known antiplatelet and antithrombotic activity of this drug. Suloctidil acts to inhibit serum TxB2 generation."}
{"pert_id":"BRD-A34208323","pert_iname":"VU-0404997-2","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VVBFAZRDUJRAAU","inchi_key":"VVBFAZRDUJRAAU-UHFFFAOYSA-N","canonical_smiles":"CC1(CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl)c1ccccc1","pubchem_cid":"46869952","MOA":"Glutamate receptor modulator","chembl_id":"CHEMBL1699345","molregno":1080076,"PubChem_ID":"46869952","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A34255068","pert_iname":"rolipram","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HJORMJIFDVBMOB","inchi_key":"HJORMJIFDVBMOB-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1","pubchem_cid":"5092","MOA":"Interleukin receptor antagonist; Phosphodiesterase inhibitor","chembl_id":"CHEMBL63","molregno":4872,"PubChem_ID":"5092","DrugBank_ID":"DB01954","pref_name":"ROLIPRAM","max_phase":2,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1980,"indication_class":"Tranquilizer","withdrawn_flag":0}
{"pert_id":"BRD-A34299591","pert_iname":"budesonide","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VOVIALXJUBGFJZ","inchi_key":"VOVIALXJUBGFJZ-KWVAZRHASA-N","canonical_smiles":"CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO","pubchem_cid":"5281004","MOA":"Glucocorticoid receptor agonist","chembl_id":"CHEMBL1370","molregno":313314,"PubChem_ID":"5281004","DrugBank_ID":"DB01222","pref_name":"BUDESONIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1994,"oral":1,"parenteral":0,"topical":1,"natural_product":1,"inorganic_flag":0,"usan_year":1979,"availability_type":2,"usan_stem":"-onide","usan_stem_definition":"topical steroids (acetal derivatives)","indication_class":"Anti-Inflammatory","withdrawn_flag":0,"mechanism_of_action":"Glucocorticoid receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A34309505","pert_iname":"zopiclone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GBBSUAFBMRNDJC","inchi_key":"GBBSUAFBMRNDJC-UHFFFAOYSA-N","canonical_smiles":"CN1CCN(CC1)C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4","pubchem_cid":"5735","chembl_id":"CHEMBL135400","molregno":224263,"PubChem_ID":"5735","DrugBank_ID":"DB01198","pref_name":"ZOPICLONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-1,"usan_stem":"-clone","usan_stem_definition":"hypnotics/tranquilizers (zopiclone type)","withdrawn_flag":0}
{"pert_id":"BRD-A34421300","pert_iname":"BRD-A34421300","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OVQDGLOLGMOEJH","inchi_key":"OVQDGLOLGMOEJH-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1COc1c(C)cccc1C)C1Nc2ccccc2C(=O)N1Cc1ccc(C)o1","pubchem_cid":"50897785"}
{"pert_id":"BRD-A34462049","pert_iname":"tigecycline","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CGZOGNUFXMNYEI","inchi_key":"CGZOGNUFXMNYEI-UDUHKTKDSA-N","canonical_smiles":"CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C","pubchem_cid":"73707446"}
{"pert_id":"BRD-A34578416","pert_iname":"ambrisentan","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OUJTZYPIHDYQMC","inchi_key":"OUJTZYPIHDYQMC-UHFFFAOYSA-N","canonical_smiles":"COC(C(Oc1nc(C)cc(C)n1)C(=O)O)(c2ccccc2)c3ccccc3","pubchem_cid":"197712","chembl_id":"CHEMBL302753","molregno":105299,"PubChem_ID":"197712","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A34706053","pert_iname":"CGP-12177","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ANAWRRAUQXSHKD","inchi_key":"ANAWRRAUQXSHKD-UHFFFAOYSA-N","canonical_smiles":"CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12","pubchem_cid":"2687","MOA":"Adrenergic receptor agonist","chembl_id":"CHEMBL420746","molregno":112970,"PubChem_ID":"2687","pref_name":"CGP-12177","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A34751532","pert_iname":"homosalate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WSSJONWNBBTCMG","inchi_key":"WSSJONWNBBTCMG-UHFFFAOYSA-N","canonical_smiles":"CC1CC(CC(C)(C)C1)OC(=O)c1ccccc1O","pubchem_cid":"8362","MOA":"HSP inducer","chembl_id":"CHEMBL1377575","molregno":801459,"PubChem_ID":"8362","DrugBank_ID":"DB11064","pref_name":"HOMOSALATE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1972,"usan_stem":"-sal-","usan_stem_definition":"anti-inflammatory agents (salicylic acid derivatives)","indication_class":"Ultraviolet Screen","withdrawn_flag":0}
{"pert_id":"BRD-A34806832","pert_iname":"proscillaridin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MYEJFUXQJGHEQK","inchi_key":"MYEJFUXQJGHEQK-BVLCKXLMSA-N","canonical_smiles":"C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CCC3=C2)c6ccc(=O)oc6)[C@H](O)[C@H](O)[C@H]1O","pubchem_cid":"5284613","MOA":"ATPase inhibitor","chembl_id":"CHEMBL600325","molregno":421211,"PubChem_ID":"5284613","DrugBank_ID":"DB13307","pref_name":"PROSCILLARIDIN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1967,"availability_type":-1,"indication_class":"Cardiotonic","withdrawn_flag":0}
{"pert_id":"BRD-A34817987","pert_iname":"itraconazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VHVPQPYKVGDNFY","inchi_key":"VHVPQPYKVGDNFY-UHFFFAOYSA-N","canonical_smiles":"CCC(C)n1ncn(c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4)c1=O","pubchem_cid":"3793","MOA":"Cytochrome P450 inhibitor","chembl_id":"CHEMBL64391","molregno":97867,"PubChem_ID":"3793","pref_name":"ITRACONAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1992,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1984,"availability_type":1,"usan_stem":"-conazole","usan_stem_definition":"systemic antifungals (miconazole type)","withdrawn_flag":0,"mechanism_of_action":"Cytochrome P450 51 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A34907681","pert_iname":"rutin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IKGXIBQEEMLURG","inchi_key":"IKGXIBQEEMLURG-UHFFFAOYSA-N","canonical_smiles":"CC1OC(OCC2OC(Oc3c(oc4cc(O)cc(O)c4c3=O)c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O","pubchem_cid":"5293655","MOA":"Antioxidant; Capillary stabilizing agent; Nitric oxide scavenger","chembl_id":"CHEMBL32579","molregno":47335,"PubChem_ID":"5293655","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A35020550","pert_iname":"KU-C103676","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BKCAQRNMUSHHJI","inchi_key":"BKCAQRNMUSHHJI-UHFFFAOYSA-N","canonical_smiles":"CC1CN(CCN1c1cccc(C)c1)C(=O)COc1noc2nc(C)cc(C)c12","pubchem_cid":"44473132","chembl_id":"CHEMBL2144976","molregno":1416927,"PubChem_ID":"44473132","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A35033682","pert_iname":"eriodictyol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SBHXYTNGIZCORC","inchi_key":"SBHXYTNGIZCORC-UHFFFAOYSA-N","canonical_smiles":"Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3","pubchem_cid":"11095","MOA":"Cytochrome P450 inhibitor","chembl_id":"CHEMBL307893","molregno":115459,"PubChem_ID":"11095","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A35072120","pert_iname":"BRD-A35072120","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PQUSMXUQSMSWNN","inchi_key":"PQUSMXUQSMSWNN-UHFFFAOYSA-N","canonical_smiles":"NC(Cc1ccc(O)cc1N)C(O)=O","pubchem_cid":"5134354"}
{"pert_id":"BRD-A35141262","pert_iname":"BRD-A35141262","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UGPPJDBSDVDSDI","inchi_key":"UGPPJDBSDVDSDI-UHFFFAOYSA-N","canonical_smiles":"OC1N2CCCCC2=Nc2cccc(F)c12","pubchem_cid":"44537691","chembl_id":"CHEMBL1525595","molregno":949479,"PubChem_ID":"44537691","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A35153197","pert_iname":"BRD-A35153197","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DFSPELNJAJEWOM","inchi_key":"DFSPELNJAJEWOM-PXYINDEMSA-N","canonical_smiles":"OC(=O)[C@@H]1CSC(Cc2c[nH]c3ccc(O)cc23)N1","pubchem_cid":"11492836"}
{"pert_id":"BRD-A35207501","pert_iname":"BRD-A35207501","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WDLPDTHFFBNPGK","inchi_key":"WDLPDTHFFBNPGK-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc(cc1)C(=O)NCCC(=O)NC2CCCc3ccccc23","pubchem_cid":"16307489","chembl_id":"CHEMBL1328485","molregno":752369,"PubChem_ID":"16307489","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A35338386","pert_iname":"NECA","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JADDQZYHOWSFJD","inchi_key":"JADDQZYHOWSFJD-UHFFFAOYSA-N","canonical_smiles":"CCNC(=O)C1OC(C(O)C1O)n2cnc3c(N)ncnc23","pubchem_cid":"2868392","MOA":"Adenosine receptor agonist","chembl_id":"CHEMBL277076","molregno":19814,"PubChem_ID":"2868392","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A35511923","pert_iname":"L-803087","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OPNMQSFIGUSHDH","inchi_key":"OPNMQSFIGUSHDH-UHFFFAOYSA-N","canonical_smiles":"COC(=O)C(CCCNC(=N)N)NC(=O)CCCc1c([nH]c2c(F)cc(F)cc12)c3ccccc3","pubchem_cid":"9805390","MOA":"Somatostatin receptor agonist"}
{"pert_id":"BRD-A35519318","pert_iname":"benidipine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VATGWEZOSFWWCV","inchi_key":"VATGWEZOSFWWCV-SKWHODKYSA-N","canonical_smiles":"COC(=O)C1[C@H](C(=C(C)N=C1C)C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)c4cccc(c4)[N+](=O)[O-]","pubchem_cid":"656667","MOA":"Calcium channel blocker","chembl_id":"CHEMBL2359165","molregno":1536354,"PubChem_ID":"656667","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A35588707","pert_iname":"teniposide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NRUKOCRGYNPUPR","inchi_key":"NRUKOCRGYNPUPR-OQMCATNJSA-N","canonical_smiles":"COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)C(O[C@@H]2O[C@@H]3CO[C@H](OC3[C@H](O)[C@H]2O)c2cccs2)c2cc3OCOc3cc12","pubchem_cid":"5396","MOA":"Topoisomerase inhibitor","chembl_id":"CHEMBL1571037","molregno":994921,"PubChem_ID":"5396","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A35623999","pert_iname":"CGP-37157","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"KQEPIRKXSUIUTH","inchi_key":"KQEPIRKXSUIUTH-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc2NC(=O)CSC(c3ccccc3Cl)c2c1","pubchem_cid":"2688","MOA":"L-type calcium channel blocker; Mitochondrial Na+/Ca2+ exchanger antagonist; Sodium/calcium exchange inhibitor","chembl_id":"CHEMBL1495071","molregno":918955,"PubChem_ID":"2688","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A35713041","pert_iname":"furaltadone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YVQVOQKFMFRVGR","inchi_key":"YVQVOQKFMFRVGR-UHFFFAOYSA-N","canonical_smiles":"[O-][N+](=O)c1ccc(C=NN2CC(CN3CCOCC3)OC2=O)o1","pubchem_cid":"92968"}
{"pert_id":"BRD-A35769934","pert_iname":"BRD-A35769934","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZTDFZLVUIVPZDU","inchi_key":"ZTDFZLVUIVPZDU-VANIYDICSA-N","canonical_smiles":"C\\C1=C/CC\\C(CO)=C\\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO","pubchem_cid":"24871246"}
{"pert_id":"BRD-A35782587","pert_iname":"verteporfin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZQFGRJWRSLZCSQ","inchi_key":"ZQFGRJWRSLZCSQ-UHOWIMBOSA-N","canonical_smiles":"COC(=O)CCc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(CCC(O)=O)c5C)c(C=C)c4C)C1=CC=C(C(C(=O)OC)[C@@]31C)C(=O)OC","pubchem_cid":"11980942","MOA":"Photosensitizing agent"}
{"pert_id":"BRD-A35825362","pert_iname":"BRD-A35825362","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NGERTTLTFNZWBZ","inchi_key":"NGERTTLTFNZWBZ-UHFFFAOYSA-N","canonical_smiles":"CN(C)CC(O)CN1c2ccccc2Sc2ccccc12","pubchem_cid":"13954252"}
{"pert_id":"BRD-A35869383","pert_iname":"ibrutinib","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XYFPWWZEPKGCCK","inchi_key":"XYFPWWZEPKGCCK-UHFFFAOYSA-N","canonical_smiles":"Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C","pubchem_cid":"16126651","chembl_id":"CHEMBL3182647","molregno":1671938,"PubChem_ID":"16126651","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A35912562","pert_iname":"pregnenolone-succinate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OZZAYJQNMKMUSD","inchi_key":"OZZAYJQNMKMUSD-NNEZGNMOSA-N","canonical_smiles":"CC(=O)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O","pubchem_cid":"10070529","chembl_id":"CHEMBL2105373","molregno":1377643,"PubChem_ID":"10070529","pref_name":"PREGNENOLONE SUCCINATE","max_phase":3,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1961,"usan_stem":"-olone","usan_stem_definition":"steroids (not prednisolone derivatives)","indication_class":"Non-Hormonal Sterol Derivative","withdrawn_flag":0}
{"pert_id":"BRD-A35989968","pert_iname":"megestrol-acetate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RQZAXGRLVPAYTJ","inchi_key":"RQZAXGRLVPAYTJ-VSUSFZLSSA-N","canonical_smiles":"CC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O","pubchem_cid":"6710729"}
{"pert_id":"BRD-A36059655","pert_iname":"BRD-A36059655","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"TZLQDAXJSITRIB","inchi_key":"TZLQDAXJSITRIB-UHFFFAOYSA-N","canonical_smiles":"COc1ccc2N3C(=NC(=O)C(Cc4ccccc4)C3=O)Sc2c1","pubchem_cid":"2928239"}
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{"pert_id":"BRD-A43671941","pert_iname":"oxprenolol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CEMAWMOMDPGJMB","inchi_key":"CEMAWMOMDPGJMB-UHFFFAOYSA-N","canonical_smiles":"CC(C)NCC(O)COc1ccccc1OCC=C","pubchem_cid":"4631","MOA":"Adrenergic receptor antagonist","chembl_id":"CHEMBL546","molregno":13756,"PubChem_ID":"4631","DrugBank_ID":"DB01580","pref_name":"OXPRENOLOL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1983,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1968,"availability_type":0,"usan_stem":"-olol","usan_stem_definition":"beta-blockers (propranolol type)","indication_class":"Vasodilator (coronary)","withdrawn_flag":0}
{"pert_id":"BRD-A43805296","pert_iname":"BRD-A43805296","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UZKQKLOUKVAGDI","inchi_key":"UZKQKLOUKVAGDI-UHFFFAOYSA-N","canonical_smiles":"CCC(C)C(NC(=O)C(C)NC)C(=O)N1CCCC1C(=O)NC1CCCc2ccccc12","pubchem_cid":"73707433"}
{"pert_id":"BRD-A43809092","pert_iname":"clobutinol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KVHHQGIIZCJATJ","inchi_key":"KVHHQGIIZCJATJ-UHFFFAOYSA-N","canonical_smiles":"CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1","pubchem_cid":"26937","chembl_id":"CHEMBL1474889","molregno":898773,"PubChem_ID":"26937","DrugBank_ID":"DB09004","pref_name":"CLOBUTINOL","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","first_approval":1961,"oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"withdrawn_flag":1,"withdrawn_year":2007,"withdrawn_country":"European Union","withdrawn_reason":"Cardiovascular","withdrawn_class":"Cardiotoxicity","mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"It was withdrawn from the market (August 31, 2007) due to its potential to induce cardiac arrhythmias by a blockade of the potassium channel coded by the human ether-a`-go-go-related gene (hERG)."}
{"pert_id":"BRD-A43849199","pert_iname":"karakoline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HKQZUYOVMYOFIT","inchi_key":"HKQZUYOVMYOFIT-VEUUHKJVSA-N","canonical_smiles":"CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5C(O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@H]6C[C@@H]32)C61","pubchem_cid":"5281278","MOA":"Phytotoxin","chembl_id":"CHEMBL1242438","molregno":701667,"PubChem_ID":"5281278","pref_name":"KARAKOLINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A43885598","pert_iname":"BRD-A43885598","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KWMBIIQCLUIHDI","inchi_key":"KWMBIIQCLUIHDI-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O","pubchem_cid":"4076092","chembl_id":"CHEMBL259067","molregno":428035,"PubChem_ID":"4076092","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A43930669","pert_iname":"L-368899","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MWIASLNTAGRGGA","inchi_key":"MWIASLNTAGRGGA-WVJGRJQASA-N","canonical_smiles":"Cc1ccccc1N1CCN(CC1)S(=O)(=O)CC12CCC(C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C","pubchem_cid":"9893887","MOA":"Oxytocin receptor antagonist"}
{"pert_id":"BRD-A43940795","pert_iname":"tetrahydropalmatine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"AEQDJSLRWYMAQI","inchi_key":"AEQDJSLRWYMAQI-UHFFFAOYSA-N","canonical_smiles":"COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1OC","pubchem_cid":"72301","MOA":"Serotonin release inhibitor","chembl_id":"CHEMBL487182","molregno":442573,"PubChem_ID":"72301","DrugBank_ID":"DB12093","pref_name":"TETRAHYDROPALMATINE","max_phase":2,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-A43974499","pert_iname":"reboxetine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CBQGYUDMJHNJBX","inchi_key":"CBQGYUDMJHNJBX-UHFFFAOYSA-N","canonical_smiles":"CCOc1ccccc1OC(C2CNCCO2)c3ccccc3","pubchem_cid":"3022645","MOA":"Adrenergic receptor antagonist","chembl_id":"CHEMBL14370","molregno":14263,"PubChem_ID":"3022645","pref_name":"REBOXETINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1997,"availability_type":-1,"usan_stem":"-oxetine","usan_stem_definition":"antidepressants (fluoxetine type)","withdrawn_flag":0,"mechanism_of_action":"Norepinephrine transporter inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"It acts by binding to the norepinephrine transporter and blocking reuptake of extracellular norepinephrine (noradrenaline) back into the terminals. A meta-analysis showed that reboxetine (marketed by Pfizer in Europe, but not in the U.S. ) lacks efficacy.","selectivity_comment":"High selectivity for NET over SERT/DAT. Low affinity for monoamine/histamine/ACh receptors"}
{"pert_id":"BRD-A43974575","pert_iname":"tranylcypromine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"AELCINSCMGFISI","inchi_key":"AELCINSCMGFISI-IENPIDJESA-N","canonical_smiles":"NC1C[C@H]1c1ccccc1","pubchem_cid":"5530","MOA":"Monoamine oxidase inhibitor","chembl_id":"CHEMBL313833","molregno":131607,"PubChem_ID":"5530","DrugBank_ID":"DB00752","pref_name":"TRANYLCYPROMINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A44008656","pert_iname":"doxylamine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HCFDWZZGGLSKEP","inchi_key":"HCFDWZZGGLSKEP-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCOC(C)(c1ccccc1)c1ccccn1","pubchem_cid":"3162","MOA":"Histamine receptor antagonist","chembl_id":"CHEMBL1004","molregno":111498,"PubChem_ID":"3162","DrugBank_ID":"DB00366","pref_name":"DOXYLAMINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1948,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":2,"indication_class":"Antihistaminic","withdrawn_flag":0}
{"pert_id":"BRD-A44090213","pert_iname":"indoprofen","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RJMIEHBSYVWVIN","inchi_key":"RJMIEHBSYVWVIN-UHFFFAOYSA-N","canonical_smiles":"CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O","pubchem_cid":"3718","MOA":"Cyclooxygenase inhibitor; Prostanoid receptor antagonist","chembl_id":"CHEMBL15870","molregno":16599,"PubChem_ID":"3718","DrugBank_ID":"DB08951","pref_name":"INDOPROFEN","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","first_approval":1979,"oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"availability_type":-2,"usan_stem":"-profen","usan_stem_definition":"anti-inflammatory/analgesic agents (ibuprofen type)","indication_class":"Analgesic; Anti-Inflammatory","withdrawn_flag":1,"withdrawn_year":1983,"withdrawn_country":"United Kingdom; Spain; Germany","withdrawn_reason":"Animal Carcinogenicity (rodent); Gastrointestinal Toxicity","withdrawn_class":"Carcinogenicity; Gastrotoxicity","mechanism_of_action":"Cyclooxygenase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"It is a cyclooxygenase inhibitor. This prevents the conversion of arachidonic acid into prostaglandins, which are involved in the regulation of pain, inflammation, and fever."}
{"pert_id":"BRD-A44133049","pert_iname":"azasetron","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WUKZPHOXUVCQOR","inchi_key":"WUKZPHOXUVCQOR-UHFFFAOYSA-N","canonical_smiles":"CN1C(=O)COc2c1cc(Cl)cc2C(=O)NC1CN2CCC1CC2","pubchem_cid":"115000","MOA":"Serotonin receptor antagonist"}
{"pert_id":"BRD-A44244100","pert_iname":"BRD-A44244100","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IYOMTCIVMTXMPJ","inchi_key":"IYOMTCIVMTXMPJ-UHFFFAOYSA-N","canonical_smiles":"CNC(=O)C(=O)NCCC1CCCCN1S(=O)(=O)c2ccc(F)cc2C","pubchem_cid":"18574628"}
{"pert_id":"BRD-A44448661","pert_iname":"pentobarbital","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WEXRUCMBJFQVBZ","inchi_key":"WEXRUCMBJFQVBZ-UHFFFAOYSA-N","canonical_smiles":"CCCC(C)C1(CC)C(=O)NC(=O)NC1=O","pubchem_cid":"4737","MOA":"Barbiturate antiepileptic; GABA receptor modulator","chembl_id":"CHEMBL448","molregno":2327,"PubChem_ID":"4737","DrugBank_ID":"DB00312","pref_name":"PENTOBARBITAL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1973,"oral":1,"parenteral":1,"topical":1,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"usan_stem":"-barb-","usan_stem_definition":"barbituric acid derivatives","indication_class":"Sedative-Hypnotic","withdrawn_flag":1,"withdrawn_year":1980,"withdrawn_country":"Norway","withdrawn_reason":"Self-Poisonings","withdrawn_class":"Misuse","mechanism_of_action":"GABA-A receptor; anion channel positive allosteric modulator","action_type":"POSITIVE ALLOSTERIC MODULATOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A44551378","pert_iname":"LFM-A12","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XXNKCLVHOZOIOC","inchi_key":"XXNKCLVHOZOIOC-UHFFFAOYSA-N","canonical_smiles":"CC(=O)C(C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1","pubchem_cid":"9795867","MOA":"EGFR inhibitor"}
{"pert_id":"BRD-A44701612","pert_iname":"dihydroergocristine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DEQITUUQPICUMR","inchi_key":"DEQITUUQPICUMR-UHFFFAOYSA-N","canonical_smiles":"CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C1=O","pubchem_cid":"107715","MOA":"Adrenergic receptor antagonist; Prolactin inhibitor","chembl_id":"CHEMBL601773","molregno":588819,"PubChem_ID":"107715","DrugBank_ID":"DB13345","pref_name":"DIHYDROERGOCRISTINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_stem":"-erg-","usan_stem_definition":"ergot alkaloid derivatives","withdrawn_flag":0}
{"pert_id":"BRD-A44780397","pert_iname":"mifepristone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VKHAHZOOUSRJNA","inchi_key":"VKHAHZOOUSRJNA-UHFFFAOYSA-N","canonical_smiles":"CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC21C)c5ccc(cc5)N(C)C","pubchem_cid":"4196","MOA":"Glucocorticoid receptor antagonist; Progesterone receptor antagonist"}
{"pert_id":"BRD-A44827100","pert_iname":"erythromycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NSYZCCDSJNWWJL","inchi_key":"NSYZCCDSJNWWJL-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)CCC(=O)OC1C(CC(C)OC1OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)N(C)C","pubchem_cid":"3256","MOA":"NFkB pathway inhibitor"}
{"pert_id":"BRD-A44862234","pert_iname":"BRD-A44862234","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZLKBWOYLJUESSU","inchi_key":"ZLKBWOYLJUESSU-UHFFFAOYSA-N","canonical_smiles":"CNC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)Nc1cccc2ccccc12","pubchem_cid":"46948704","chembl_id":"CHEMBL1900932","molregno":1241503,"PubChem_ID":"46948704","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A44863528","pert_iname":"proglumide","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DGMKFQYCZXERLX","inchi_key":"DGMKFQYCZXERLX-UHFFFAOYSA-N","canonical_smiles":"CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1","pubchem_cid":"23677833","chembl_id":"CHEMBL1345380","molregno":769264,"PubChem_ID":"23677833","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A45140972","pert_iname":"meclocycline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YKYBWGJKLYMCFI","inchi_key":"YKYBWGJKLYMCFI-LOXSQDDVSA-N","canonical_smiles":"CN(C)[C@H]1[C@@H]2[C@@H](O)C3C(C(=O)c4c(O)ccc(Cl)c4C3=C)C(=O)[C@]2(O)C(=O)C(C(=O)N)C1=O","pubchem_cid":"54682932","MOA":"Bacterial 30S ribosomal subunit inhibitor; Bacterial 50S ribosomal subunit inhibitor","chembl_id":"CHEMBL1594055","molregno":1017939,"PubChem_ID":"54682932","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A45206415","pert_iname":"BRD-A45206415","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZEKHPEYYOIKDQJ","inchi_key":"ZEKHPEYYOIKDQJ-UHFFFAOYSA-N","canonical_smiles":"Cc1noc(C)c1C(c2ccccc2)S(=O)(=O)c3ccc(C)cc3","pubchem_cid":"4460128","chembl_id":"CHEMBL1608982","molregno":1032866,"PubChem_ID":"4460128","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A45333398","pert_iname":"periplocymarin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XRWQBDJPMXRDOQ","inchi_key":"XRWQBDJPMXRDOQ-IDULJFIXSA-N","canonical_smiles":"CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@@H]1O","pubchem_cid":"44566918","MOA":"Apoptosis stimulant","chembl_id":"CHEMBL502236","molregno":464321,"PubChem_ID":"44566918","pref_name":"PERIPLOCYMARIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A45498368","pert_iname":"WYE-125132","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QLHHRYZMBGPBJG","inchi_key":"QLHHRYZMBGPBJG-UHFFFAOYSA-N","canonical_smiles":"CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1","pubchem_cid":"25260757","MOA":"MTOR inhibitor","chembl_id":"CHEMBL601661","molregno":602753,"PubChem_ID":"25260757","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A45499626","pert_iname":"UBP-302","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UUIYULWYHDSXHL","inchi_key":"UUIYULWYHDSXHL-UHFFFAOYSA-N","canonical_smiles":"NC(Cn1ccc(=O)n(Cc2ccccc2C(O)=O)c1=O)C(O)=O","pubchem_cid":"11674376","MOA":"Glutamate receptor antagonist","chembl_id":"CHEMBL372631","molregno":332720,"PubChem_ID":"11674376","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A45543382","pert_iname":"metrizamide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BAQCROVBDNBEEB","inchi_key":"BAQCROVBDNBEEB-UBYUBLNFSA-N","canonical_smiles":"CN(C(C)=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1I","pubchem_cid":"443944","MOA":"Radiopaque medium","chembl_id":"CHEMBL462394","molregno":453512,"PubChem_ID":"443944","pref_name":"METRIZAMIDE","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","first_approval":1978,"oral":0,"parenteral":1,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1975,"availability_type":0,"withdrawn_flag":0}
{"pert_id":"BRD-A45657137","pert_iname":"BRD-A45657137","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MQTMDDXRQIEIKY","inchi_key":"MQTMDDXRQIEIKY-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)C1=C(N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c4cccs4)c5ccccc5","pubchem_cid":"2885102","chembl_id":"CHEMBL1607593","molregno":1031477,"PubChem_ID":"2885102","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A45664787","pert_iname":"iloprost","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HIFJCPQKFCZDDL","inchi_key":"HIFJCPQKFCZDDL-ACWOEMLNSA-N","canonical_smiles":"CC#CCC(C)[C@H](O)\\C=C\\[C@H]1[C@H](O)C[C@@H]2C\\C(C[C@H]12)=C/CCCC(O)=O","pubchem_cid":"5311181","MOA":"Platelet aggregation inhibitor; Prostanoid receptor agonist","chembl_id":"CHEMBL494","molregno":7494,"PubChem_ID":"5311181","DrugBank_ID":"DB01088","pref_name":"ILOPROST","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2004,"oral":0,"parenteral":0,"topical":1,"natural_product":1,"inorganic_flag":0,"usan_year":2004,"availability_type":1,"usan_stem":"-prost","usan_stem_definition":"prostaglandins","withdrawn_flag":0,"mechanism_of_action":"Prostanoid IP receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-A49046702","pert_iname":"SKF-89976A","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"TXQKSMSLZVKQBI","inchi_key":"TXQKSMSLZVKQBI-UHFFFAOYSA-N","canonical_smiles":"OC(=O)C1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1","pubchem_cid":"92409","MOA":"GABA uptake inhibitor","chembl_id":"CHEMBL38686","molregno":56963,"PubChem_ID":"92409","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A49148672","pert_iname":"galantamine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ASUTZQLVASHGKV","inchi_key":"ASUTZQLVASHGKV-UHFFFAOYSA-N","canonical_smiles":"COc1ccc2CN(C)CCC34C=CC(O)CC4Oc1c23","pubchem_cid":"9651","MOA":"Acetylcholinesterase inhibitor","chembl_id":"CHEMBL659","molregno":27639,"PubChem_ID":"9651","DrugBank_ID":"DB00674","pref_name":"GALANTAMINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2001,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":2000,"availability_type":1,"withdrawn_flag":0}
{"pert_id":"BRD-A49160188","pert_iname":"donepezil","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ADEBPBSSDYVVLD","inchi_key":"ADEBPBSSDYVVLD-UHFFFAOYSA-N","canonical_smiles":"COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC","pubchem_cid":"3152","MOA":"Acetylcholinesterase inhibitor","chembl_id":"CHEMBL502","molregno":9372,"PubChem_ID":"3152","DrugBank_ID":"DB00843","pref_name":"DONEPEZIL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1996,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1997,"availability_type":1,"usan_stem":"-pezil","usan_stem_definition":"acetylcholinesterase inhibitors used in the treatment of Alzheimer's disease","indication_class":"Dementia Symptoms Treatment Adjunct; Inhibitor (acetylcholinesterase); Cognition Adjuvant; Alzheimer's Disease Treatment (adjunct)","withdrawn_flag":0}
{"pert_id":"BRD-A49172652","pert_iname":"lansoprazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MJIHNNLFOKEZEW","inchi_key":"MJIHNNLFOKEZEW-UHFFFAOYSA-N","canonical_smiles":"Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1","pubchem_cid":"3883","MOA":"ATPase inhibitor","chembl_id":"CHEMBL480","molregno":5975,"PubChem_ID":"3883","DrugBank_ID":"DB00448","pref_name":"LANSOPRAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1995,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1989,"availability_type":2,"usan_stem":"-prazole","usan_stem_definition":"antiulcer agents (benzimidazole derivatives)","indication_class":"Anti-Ulcerative","withdrawn_flag":0,"mechanism_of_action":"Potassium-transporting ATPase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A49225603","pert_iname":"alimemazine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZZHLYYDVIOPZBE","inchi_key":"ZZHLYYDVIOPZBE-UHFFFAOYSA-N","canonical_smiles":"CC(CN(C)C)CN1c2ccccc2Sc2ccccc12","pubchem_cid":"5574","MOA":"Histamine receptor agonist","chembl_id":"CHEMBL829","molregno":57833,"PubChem_ID":"5574","DrugBank_ID":"DB01246","pref_name":"METHYLPROMAZINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1982,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":0,"indication_class":"Antipruritic","withdrawn_flag":0}
{"pert_id":"BRD-A49358627","pert_iname":"ciprofibrate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"KPSRODZRAIWAKH","inchi_key":"KPSRODZRAIWAKH-UHFFFAOYSA-N","canonical_smiles":"CC(C)(Oc1ccc(cc1)C1CC1(Cl)Cl)C(O)=O","pubchem_cid":"2763","MOA":"PPAR receptor agonist","chembl_id":"CHEMBL557555","molregno":563655,"PubChem_ID":"2763","DrugBank_ID":"DB09064","pref_name":"CIPROFIBRATE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"availability_type":-1,"usan_stem":"-fibrate","usan_stem_definition":"antihyperlipidemics (clofibrate type)","indication_class":"Antihyperlipoproteinemic","withdrawn_flag":0,"mechanism_of_action":"Peroxisome proliferator-activated receptor alpha agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Ciprofibrate, a PPARα activator, is used to treat hyperlipidaemia and was found to be beneficial in the prevention of ischemic heart disease in individuals with elevated levels of LDL cholesterol. In addition ciprofibrate is also found to modestly decrease elevated fibrinogen and plasminogen activator inhibitor-1 levels and elevate level of plasma HDL cholesterol."}
{"pert_id":"BRD-A49370193","pert_iname":"Ro-60-0175","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XJJZQXUGLLXTHO","inchi_key":"XJJZQXUGLLXTHO-UHFFFAOYSA-N","canonical_smiles":"CC(N)Cn1ccc2cc(F)c(Cl)cc12","pubchem_cid":"5191289"}
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{"pert_id":"BRD-A49734948","pert_iname":"foliosidine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IUPYLWAXGAJZQC","inchi_key":"IUPYLWAXGAJZQC-UHFFFAOYSA-N","canonical_smiles":"COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12","pubchem_cid":"2837663","MOA":"Plant alkaloid","chembl_id":"CHEMBL1450334","molregno":874218,"PubChem_ID":"2837663","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A49765801","pert_iname":"fludroxycortide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"POPFMWWJOGLOIF","inchi_key":"POPFMWWJOGLOIF-KYSSJFEUSA-N","canonical_smiles":"CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO","pubchem_cid":"5702172","MOA":"Glucocorticoid receptor agonist"}
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{"pert_id":"BRD-A50310035","pert_iname":"misoprostol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OJLOPKGSLYJEMD","inchi_key":"OJLOPKGSLYJEMD-LNQMSSPSSA-N","canonical_smiles":"CCCCC(C)(O)CC=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC","pubchem_cid":"5282381","chembl_id":"CHEMBL606","molregno":22391,"PubChem_ID":"5282381","DrugBank_ID":"DB00929","pref_name":"MISOPROSTOL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1988,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1981,"availability_type":1,"usan_stem":"-prost-","usan_stem_definition":"prostaglandins","indication_class":"Anti-Ulcerative","withdrawn_flag":0,"mechanism_of_action":"Prostanoid EP3 receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-A50454580","pert_iname":"PD-0325901","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SUDAHWBOROXANE","inchi_key":"SUDAHWBOROXANE-UHFFFAOYSA-N","canonical_smiles":"OCC(O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F","pubchem_cid":"10206158","MOA":"MAP kinase inhibitor; MEK inhibitor; Protein kinase inhibitor","chembl_id":"CHEMBL450775","molregno":453227,"PubChem_ID":"10206158","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-A50684349","pert_iname":"fenoldopam","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"TVURRHSHRRELCG","inchi_key":"TVURRHSHRRELCG-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12","pubchem_cid":"3341","MOA":"Dopamine receptor agonist","chembl_id":"CHEMBL588","molregno":19278,"PubChem_ID":"3341","DrugBank_ID":"DB00800","pref_name":"FENOLDOPAM","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1997,"oral":0,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1984,"availability_type":1,"indication_class":"Dopamine Agonist; Antihypertensive","withdrawn_flag":0}
{"pert_id":"BRD-A50737080","pert_iname":"CGK-733","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HLCDNLNLQNYZTK","inchi_key":"HLCDNLNLQNYZTK-UHFFFAOYSA-N","canonical_smiles":"[O-][N+](=O)c1cc(NC(=S)NC(NC(=O)C(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)ccc1F","pubchem_cid":"6605258","MOA":"ATR kinase inhibitor","chembl_id":"CHEMBL1221601","molregno":688029,"PubChem_ID":"6605258","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A50764878","pert_iname":"MDL-73005EF","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BVMYCHKQPGEOSI","inchi_key":"BVMYCHKQPGEOSI-UHFFFAOYSA-N","canonical_smiles":"O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1","pubchem_cid":"71346","MOA":"Serotonin receptor antagonist","chembl_id":"CHEMBL2218891","molregno":1449164,"PubChem_ID":"71346","pref_name":"BINOSPIRONE MESYLATE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1991,"usan_stem":"-spirone","usan_stem_definition":"anxiolytics (buspirone type)","indication_class":"Anti-Anxiety Agent","withdrawn_flag":0}
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{"pert_id":"BRD-A50928468","pert_iname":"norgestrel","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WWYNJERNGUHSAO","inchi_key":"WWYNJERNGUHSAO-RYHLCRTJSA-N","canonical_smiles":"CC[C@@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C2CC[C@@]1(O)C#C","pubchem_cid":"5702096","MOA":"Progesterone receptor agonist"}
{"pert_id":"BRD-A50934474","pert_iname":"L-744832","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PGOKBMWPBDRDGN","inchi_key":"PGOKBMWPBDRDGN-VPLSZDNISA-N","canonical_smiles":"CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC(C)C)NCC(N)CS","pubchem_cid":"6610261"}
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{"pert_id":"BRD-A60070924","pert_iname":"alpha-estradiol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VOXZDWNPVJITMN","inchi_key":"VOXZDWNPVJITMN-UHFFFAOYSA-N","canonical_smiles":"CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O","pubchem_cid":"450","MOA":"Estrogen receptor agonist","chembl_id":"CHEMBL412","molregno":871,"PubChem_ID":"450","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A60197193","pert_iname":"amisulpride","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NTJOBXMMWNYJFB","inchi_key":"NTJOBXMMWNYJFB-UHFFFAOYSA-N","canonical_smiles":"CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC","pubchem_cid":"2159","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL243712","molregno":389011,"PubChem_ID":"2159","DrugBank_ID":"DB06288","pref_name":"AMISULPRIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2020,"oral":0,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"usan_stem":"-pride","usan_stem_definition":"sulpride derivatives","withdrawn_flag":0,"mechanism_of_action":"Dopamine receptors; D2 & D3 antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Amisulpride blocks pre- and post synaptic dopamine D2, D3 receptors as well as the 5-HT7a receptor.","selectivity_comment":"The chemical structure of amisulpride contains a chiral center and, thus, is a mixture of two optical isomers: (S)-amisulpride and (R)-amisulpride. The enantiomers bind at dopamine D2/3 and α2- adrenoceptors in a stereoselective manner with marked differences in affinity: (S)-amisulpride displays high affinity binding at both D2 and D3 receptors. On the other hand, the isomers display reversed stereoselectivity (but weaker affinity) at α2-adrenoceptors."}
{"pert_id":"BRD-A60217728","pert_iname":"iohexol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NTHXOOBQLCIOLC","inchi_key":"NTHXOOBQLCIOLC-UHFFFAOYSA-N","canonical_smiles":"CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I","pubchem_cid":"3730","chembl_id":"CHEMBL1200455","molregno":674406,"PubChem_ID":"3730","DrugBank_ID":"DB01362","pref_name":"IOHEXOL","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","first_approval":1985,"oral":1,"parenteral":1,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1980,"availability_type":1,"usan_stem":"io-","usan_stem_definition":"iodine-containing contrast media","indication_class":"Diagnostic Aid (radiopaque medium)","withdrawn_flag":0}
{"pert_id":"BRD-A60245366","pert_iname":"AS-601245","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RCYPVQCPYKNSTG","inchi_key":"RCYPVQCPYKNSTG-UHFFFAOYSA-N","canonical_smiles":"N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1","pubchem_cid":"10109823","MOA":"JNK inhibitor","chembl_id":"CHEMBL406703","molregno":430519,"PubChem_ID":"10109823","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A60256353","pert_iname":"ST-019386","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WYXBWPATBKEJBZ","inchi_key":"WYXBWPATBKEJBZ-UHFFFAOYSA-N","canonical_smiles":"OC(=O)CC1N=Cc2ccccc12","pubchem_cid":"3780913"}
{"pert_id":"BRD-A60274948","pert_iname":"bromocriptine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OZVBMTJYIDMWIL","inchi_key":"OZVBMTJYIDMWIL-BGNMTYTCSA-N","canonical_smiles":"CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C","pubchem_cid":"31101","MOA":"Dopamine receptor agonist","chembl_id":"CHEMBL493","molregno":7065,"PubChem_ID":"31101","DrugBank_ID":"DB01200","pref_name":"BROMOCRIPTINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1978,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1976,"availability_type":1,"indication_class":"Enzyme Inhibitor (prolactin)","withdrawn_flag":0}
{"pert_id":"BRD-A60386802","pert_iname":"BRD-A60386802","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LTQXESHHKQUOEG","inchi_key":"LTQXESHHKQUOEG-UHFFFAOYSA-N","canonical_smiles":"CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12","pubchem_cid":"4879425","chembl_id":"CHEMBL1531603","molregno":955487,"PubChem_ID":"4879425","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A60414806","pert_iname":"vincristine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OGWKCGZFUXNPDA","inchi_key":"OGWKCGZFUXNPDA-CUGARIAGSA-N","canonical_smiles":"CC[C@]1(O)CC2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC","pubchem_cid":"6324671","MOA":"Tubulin inhibitor"}
{"pert_id":"BRD-A60583491","pert_iname":"nitrarine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SBGPASZOVGSOFJ","inchi_key":"SBGPASZOVGSOFJ-ZOWGRLGGSA-N","canonical_smiles":"C1CN[C@H]2[C@@H](C1)C3CCC2[C@H]4N3CCc5c4[nH]c6ccccc56","pubchem_cid":"398797","chembl_id":"CHEMBL2219846","molregno":1449657,"PubChem_ID":"398797","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A60784279","pert_iname":"BRD-A60784279","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UIMQHKKHXDXZLM","inchi_key":"UIMQHKKHXDXZLM-UHFFFAOYSA-N","canonical_smiles":"O=C(Nc1ncnc2Oc3ccc4ccccc4c3C(c5ccccc5)c12)c6ccccc6","pubchem_cid":"25109910","chembl_id":"CHEMBL1328271","molregno":752155,"PubChem_ID":"25109910","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A61154809","pert_iname":"gliclazide","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BOVGTQGAOIONJV","inchi_key":"BOVGTQGAOIONJV-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1","pubchem_cid":"3475","chembl_id":"CHEMBL427216","molregno":346895,"PubChem_ID":"3475","DrugBank_ID":"DB01120","pref_name":"GLICLAZIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-1,"usan_stem":"gli-","usan_stem_definition":"antihyperglycemics","withdrawn_flag":0}
{"pert_id":"BRD-A61189834","pert_iname":"BRD-A61189834","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CPJCDIAPGXTNBU","inchi_key":"CPJCDIAPGXTNBU-UHFFFAOYSA-N","canonical_smiles":"CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)Nc1ccc2[nH]ccc2c1","pubchem_cid":"46948703","chembl_id":"CHEMBL2362913","molregno":1540102,"PubChem_ID":"46948703","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A61194565","pert_iname":"benserazide","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BNQDCRGUHNALGH","inchi_key":"BNQDCRGUHNALGH-UHFFFAOYSA-N","canonical_smiles":"NC(CO)C(=O)NNCc1ccc(O)c(O)c1O","pubchem_cid":"26964"}
{"pert_id":"BRD-A61273891","pert_iname":"aflatoxin-b1","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OQIQSTLJSLGHID","inchi_key":"OQIQSTLJSLGHID-UHFFFAOYSA-N","canonical_smiles":"COc1cc2OC3OC=CC3c2c2oc(=O)c3C(=O)CCc3c12","pubchem_cid":"14403"}
{"pert_id":"BRD-A61304759","pert_iname":"tanespimycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AYUNIORJHRXIBJ","inchi_key":"AYUNIORJHRXIBJ-ZGQRYRSUSA-N","canonical_smiles":"COC1CC(C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\\C(C)=C\\C=C\\C(OC)C(OC(N)=O)\\C(C)=C\\C(C)C1O)C2=O","pubchem_cid":"73707384"}
{"pert_id":"BRD-A61392169","pert_iname":"eliprodil","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GGUSQTSTQSHJAH","inchi_key":"GGUSQTSTQSHJAH-UHFFFAOYSA-N","canonical_smiles":"OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1","pubchem_cid":"60703","MOA":"Glutamate receptor antagonist","chembl_id":"CHEMBL28564","molregno":41256,"PubChem_ID":"60703","DrugBank_ID":"DB12869","pref_name":"ELIPRODIL","max_phase":2,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-dil","usan_stem_definition":"vasodilators (undefined group)","withdrawn_flag":0}
{"pert_id":"BRD-A61470182","pert_iname":"N-formylmethionylalanine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GBWVAAKKEIOROG","inchi_key":"GBWVAAKKEIOROG-UHFFFAOYSA-N","canonical_smiles":"CSCCC(NC=O)C(=O)NC(C)C(=O)O","pubchem_cid":"4363","chembl_id":"CHEMBL2130597","molregno":1402548,"PubChem_ID":"4363","pref_name":"N-FORMYLMETHIONYLALANINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A61486721","pert_iname":"apramycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XZNUGFQTQHRASN","inchi_key":"XZNUGFQTQHRASN-KPEIQDFRSA-N","canonical_smiles":"CN[C@H]1[C@@H](O)C2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2OC1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O","pubchem_cid":"23958199"}
{"pert_id":"BRD-A61599461","pert_iname":"BRD-A61599461","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ODFGSMOTQLYMHU","inchi_key":"ODFGSMOTQLYMHU-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1COc1c(C)cccc1C)C1Nc2ccccc2C(=O)N1Cc1cccnc1","pubchem_cid":"50897816"}
{"pert_id":"BRD-A61666925","pert_iname":"EMF-sumo1-6","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UMMYLBGDOPRQOH","inchi_key":"UMMYLBGDOPRQOH-UHFFFAOYSA-N","canonical_smiles":"NC(=O)C1CCN(CC1)C2CC(=O)N(C2=O)c3ccc(F)c(Cl)c3","pubchem_cid":"2951172","chembl_id":"CHEMBL1607597","molregno":1031481,"PubChem_ID":"2951172","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A61793559","pert_iname":"metolazone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"AQCHWTWZEMGIFD","inchi_key":"AQCHWTWZEMGIFD-UHFFFAOYSA-N","canonical_smiles":"CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(N)(=O)=O","pubchem_cid":"4170","MOA":"Carbonic anhydrase inhibitor","chembl_id":"CHEMBL878","molregno":73548,"PubChem_ID":"4170","DrugBank_ID":"DB00524","pref_name":"METOLAZONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1973,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1968,"availability_type":1,"indication_class":"Antihypertensive; Diuretic","withdrawn_flag":0,"mechanism_of_action":"Thiazide-sensitive sodium-chloride cotransporter inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A61825514","pert_iname":"BRD-A61825514","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RPXPIKPBDXXDBD","inchi_key":"RPXPIKPBDXXDBD-UHFFFAOYSA-N","canonical_smiles":"ON1C(Nc2ccccc2C1=O)c3ccc(o3)c4ccc(cc4)C(F)(F)F","pubchem_cid":"44142081","chembl_id":"CHEMBL1709779","molregno":1090510,"PubChem_ID":"44142081","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A61856038","pert_iname":"tremulacin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RCKCYCDBDYUIGM","inchi_key":"RCKCYCDBDYUIGM-LFMHJWGUSA-N","canonical_smiles":"OC[C@H]1O[C@@H](Oc2ccccc2COC(=O)C3(O)C=CCCC3=O)[C@H](OC(=O)c4ccccc4)[C@@H](O)[C@@H]1O","pubchem_cid":"442544","MOA":"Lipoxygenase inhibitor","chembl_id":"CHEMBL462996","molregno":443227,"PubChem_ID":"442544","pref_name":"TREMULACIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A61858259","pert_iname":"CAY-10415","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IRNJSRAGRIZIHD","inchi_key":"IRNJSRAGRIZIHD-UHFFFAOYSA-N","canonical_smiles":"CCc1ccc(nc1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1","pubchem_cid":"10429242","MOA":"Insulin sensitizer","chembl_id":"CHEMBL146624","molregno":245543,"PubChem_ID":"10429242","DrugBank_ID":"DB11721","pref_name":"MITOGLITAZONE","max_phase":2,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-glitazone","usan_stem_definition":"PPST agonists (thiazolidene derivatives)","withdrawn_flag":0}
{"pert_id":"BRD-A61866602","pert_iname":"5-methoxy-alpha-methyltryptamine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OGNJZVNNKBZFRM","inchi_key":"OGNJZVNNKBZFRM-UHFFFAOYSA-N","canonical_smiles":"COc1ccc2[nH]cc(CC(C)N)c2c1","pubchem_cid":"36906","chembl_id":"CHEMBL31115","molregno":43567,"PubChem_ID":"36906","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A61899133","pert_iname":"catechin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PFTAWBLQPZVEMU","inchi_key":"PFTAWBLQPZVEMU-UHFFFAOYSA-N","canonical_smiles":"OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3","pubchem_cid":"73160","MOA":"Beta secretase inhibitor; Fatty acid synthase inhibitor; LDL antioxidant","chembl_id":"CHEMBL200715","molregno":333829,"PubChem_ID":"73160","pref_name":"(-)-CATECHIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A62021152","pert_iname":"WAY-161503","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"PHGWDAICBXUJDU","inchi_key":"PHGWDAICBXUJDU-UHFFFAOYSA-N","canonical_smiles":"Clc1cc2NC(=O)C3CNCCN3c2cc1Cl","pubchem_cid":"3906894","MOA":"Serotonin receptor agonist","chembl_id":"CHEMBL301466","molregno":93904,"PubChem_ID":"3906894","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A62025033","pert_iname":"temsirolimus","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CBPNZQVSJQDFBE","inchi_key":"CBPNZQVSJQDFBE-WEDGMEQVSA-N","canonical_smiles":"COC1CC(CC(C)C2CC(=O)C(C)\\C=C(C)\\C(O)C(OC)C(=O)C(C)CC(C)\\C=C\\C=C\\C=C(C)\\C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N3CCCCC3C(=O)O2)OC)CCC1OC(=O)C(C)(CO)CO","pubchem_cid":"6440033","MOA":"MTOR inhibitor"}
{"pert_id":"BRD-A62057054","pert_iname":"MDL-11939","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"AXNGJCOYCMDPQG","inchi_key":"AXNGJCOYCMDPQG-UHFFFAOYSA-N","canonical_smiles":"OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1","pubchem_cid":"71781","MOA":"Serotonin receptor antagonist","chembl_id":"CHEMBL18972","molregno":22470,"PubChem_ID":"71781","pref_name":"GLEMANSERIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1992,"usan_stem":"-anserin","usan_stem_definition":"serotonin 5-HT2 receptor antagonists","indication_class":"Anti-Anxiety Agent","withdrawn_flag":0}
{"pert_id":"BRD-A62071884","pert_iname":"siguazodan","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NUHPODZZKHQQET","inchi_key":"NUHPODZZKHQQET-UHFFFAOYSA-N","canonical_smiles":"CN\\C(NC#N)=N/c1ccc(cc1)C1=NNC(=O)CC1C","pubchem_cid":"72124","MOA":"Phosphodiesterase inhibitor","chembl_id":"CHEMBL1256712","molregno":705704,"PubChem_ID":"72124","pref_name":"SIGUAZODAN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-dan","usan_stem_definition":"positive inotropic agents (pimobendan type)","withdrawn_flag":0}
{"pert_id":"BRD-A62182663","pert_iname":"YK-4279","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HLXSCTYHLQHQDJ","inchi_key":"HLXSCTYHLQHQDJ-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl","pubchem_cid":"44632017","MOA":"Apoptosis stimulant; EWS-FLI1 inhibitor","chembl_id":"CHEMBL2011500","molregno":1332550,"PubChem_ID":"44632017","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A62184259","pert_iname":"cycloheximide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YPHMISFOHDHNIV","inchi_key":"YPHMISFOHDHNIV-UHFFFAOYSA-N","canonical_smiles":"CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2","pubchem_cid":"6197","MOA":"Protein synthesis inhibitor","chembl_id":"CHEMBL123292","molregno":198677,"PubChem_ID":"6197","pref_name":"CYCLOHEXIMIDE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1978,"indication_class":"Antipsoriatic","withdrawn_flag":0,"mechanism_of_action":"80S Ribosome inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A62200266","pert_iname":"BRD-A62200266","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NBMBQDMXBCIEMX","inchi_key":"NBMBQDMXBCIEMX-UHFFFAOYSA-N","canonical_smiles":"CCCCCCCCCCC1C(=O)OC(C(=O)O)C1(O)C(=O)O","pubchem_cid":"15560547"}
{"pert_id":"BRD-A62326914","pert_iname":"paroxetine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AHOUBRCZNHFOSL","inchi_key":"AHOUBRCZNHFOSL-UHFFFAOYSA-N","canonical_smiles":"Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3","pubchem_cid":"9951025","MOA":"Selective serotonin reuptake inhibitor (SSRI)"}
{"pert_id":"BRD-A62421304","pert_iname":"mepenzolate","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GKNPSSNBBWDAGH","inchi_key":"GKNPSSNBBWDAGH-UHFFFAOYSA-N","canonical_smiles":"C[N+]1(C)CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1","pubchem_cid":"6461","chembl_id":"CHEMBL1724","molregno":554127,"PubChem_ID":"6461","pref_name":"MEPENZOLATE BROMIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1956,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"indication_class":"Anticholinergic","withdrawn_flag":0,"mechanism_of_action":"Muscarinic acetylcholine receptor M1 antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Role in regulating gastric secretion, M1 likely involved"}
{"pert_id":"BRD-A62428732","pert_iname":"hydroxyzine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZQDWXGKKHFNSQK","inchi_key":"ZQDWXGKKHFNSQK-UHFFFAOYSA-N","canonical_smiles":"OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1","pubchem_cid":"71612"}
{"pert_id":"BRD-A62434282","pert_iname":"goserelin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BLCLNMBMMGCOAS","inchi_key":"BLCLNMBMMGCOAS-KJLMDEBVSA-N","canonical_smiles":"CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(N)=O","pubchem_cid":"23581804","MOA":"Gonadotropin releasing factor hormone receptor agonist; Luteinizing hormone releasing hormone agonist"}
{"pert_id":"BRD-A62496920","pert_iname":"BRD-A62496920","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XUWBMGZNJBLYOF","inchi_key":"XUWBMGZNJBLYOF-UHFFFAOYSA-N","canonical_smiles":"O=C(CNC(=O)C1CCCCC1)OC(C(=O)c2ccccc2)c3ccccc3","pubchem_cid":"44143092","chembl_id":"CHEMBL1333194","molregno":757078,"PubChem_ID":"44143092","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A62525898","pert_iname":"prednisone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XOFYZVNMUHMLCC","inchi_key":"XOFYZVNMUHMLCC-BDQMTFAOSA-N","canonical_smiles":"C[C@]12CC(=O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)CO","pubchem_cid":"5865","MOA":"Glucocorticoid receptor agonist","chembl_id":"CHEMBL635","molregno":27229,"PubChem_ID":"5865","DrugBank_ID":"DB00635","pref_name":"PREDNISONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1955,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"availability_type":1,"usan_stem":"pred-","usan_stem_definition":"prednisone and prednisolone derivatives","indication_class":"Glucocorticoid","withdrawn_flag":0,"mechanism_of_action":"Glucocorticoid receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A62647958","pert_iname":"BRD-A62647958","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XSQDEOJNULNBPG","inchi_key":"XSQDEOJNULNBPG-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)O)cc3)c(=O)n2C1c4ccc(Cl)cc4","pubchem_cid":"2878586","chembl_id":"CHEMBL1424189","molregno":848073,"PubChem_ID":"2878586","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A62809825","pert_iname":"thapsigargin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IXFPJGBNCFXKPI","inchi_key":"IXFPJGBNCFXKPI-YBFXNURJSA-N","canonical_smiles":"CCCCCCCC(=O)OC1C(OC(=O)/C(=C/C)/C)C(=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(=O)C)C12)OC(=O)CCC)C","pubchem_cid":"5353993","MOA":"ATPase inhibitor"}
{"pert_id":"BRD-A62890442","pert_iname":"3-methyl-GABA","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CZGLBWZXGIAIBU","inchi_key":"CZGLBWZXGIAIBU-UHFFFAOYSA-N","canonical_smiles":"CC(CN)CC(O)=O","pubchem_cid":"3539719","MOA":"GABA aminotransferase activator"}
{"pert_id":"BRD-A63043573","pert_iname":"cabergoline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"KORNTPPJEAJQIU","inchi_key":"KORNTPPJEAJQIU-UHFFFAOYSA-N","canonical_smiles":"CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1","pubchem_cid":"54746","MOA":"Dopamine receptor agonist","chembl_id":"CHEMBL1201087","molregno":675038,"PubChem_ID":"54746","DrugBank_ID":"DB00248","pref_name":"CABERGOLINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1996,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1996,"availability_type":1,"usan_stem":"-erg-","usan_stem_definition":"ergot alkaloid derivatives","indication_class":"Dopamine Agonist; Antidyskinetic; Antihyperprolactinemic","withdrawn_flag":0,"mechanism_of_action":"Dopamine D2 receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Long acting"}
{"pert_id":"BRD-A63346720","pert_iname":"rimcazole","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GUDVQJXODNJRIJ","inchi_key":"GUDVQJXODNJRIJ-UHFFFAOYSA-N","canonical_smiles":"CC1CN(CCCn2c3ccccc3c4ccccc24)CC(C)N1","pubchem_cid":"5072","MOA":"Sigma receptor antagonist"}
{"pert_id":"BRD-A63546914","pert_iname":"Ro-04-5595","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"DSTWURHEHMZWEI","inchi_key":"DSTWURHEHMZWEI-UHFFFAOYSA-N","canonical_smiles":"COc1cc2CCN(C)C(CCc3ccc(Cl)cc3)c2cc1O","pubchem_cid":"46740","chembl_id":"CHEMBL1624380","molregno":1047331,"PubChem_ID":"46740","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A63583287","pert_iname":"SA-1447005","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JEMWIYVPLBOCIZ","inchi_key":"JEMWIYVPLBOCIZ-OUKQBFOZSA-N","canonical_smiles":"COc1cc(\\C=C\\C(=O)N2C(CC=CC2=O)C2CCCCC2)cc(OC)c1OC","pubchem_cid":"73707394"}
{"pert_id":"BRD-A63667919","pert_iname":"methylergometrine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UNBRKDKAWYKMIV","inchi_key":"UNBRKDKAWYKMIV-UHFFFAOYSA-N","canonical_smiles":"CCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34","pubchem_cid":"4140","MOA":"Dopamine receptor antagonist; Serotonin receptor antagonist","chembl_id":"CHEMBL1597692","molregno":1021576,"PubChem_ID":"4140","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A63836183","pert_iname":"PD-123319","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YSTVFDAKLDMYCR","inchi_key":"YSTVFDAKLDMYCR-UHFFFAOYSA-N","canonical_smiles":"CN(C)c1ccc(Cn2cnc3CN(C(Cc32)C(=O)O)C(=O)C(c4ccccc4)c5ccccc5)cc1C","pubchem_cid":"4701","MOA":"Angiotensin receptor antagonist"}
{"pert_id":"BRD-A63934767","pert_iname":"alclometasone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DJHCCTTVDRAMEH","inchi_key":"DJHCCTTVDRAMEH-BNMIAHSWSA-N","canonical_smiles":"CCC(=O)OCC(=O)C1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C","pubchem_cid":"73707510","MOA":"Glucocorticoid receptor agonist; Immunosuppressant"}
{"pert_id":"BRD-A63949900","pert_iname":"BRD-A63949900","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HAONMKBGCRQXQR","inchi_key":"HAONMKBGCRQXQR-UHFFFAOYSA-N","canonical_smiles":"Oc1cccc(n1)C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F","pubchem_cid":"46916324","chembl_id":"CHEMBL3188763","molregno":1678054,"PubChem_ID":"46916324","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A63989068","pert_iname":"apicidin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JWOGUUIOCYMBPV","inchi_key":"JWOGUUIOCYMBPV-LQJYRIKDSA-N","canonical_smiles":"CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O","pubchem_cid":"467801","MOA":"HDAC inhibitor"}
{"pert_id":"BRD-A63998256","pert_iname":"helveticoside","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QBILRDAMJUPXCX","inchi_key":"QBILRDAMJUPXCX-RIBQKGKFSA-N","canonical_smiles":"C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)OC2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6","pubchem_cid":"441860","MOA":"ATPase inhibitor"}
{"pert_id":"BRD-A64092382","pert_iname":"mexiletine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VLPIATFUUWWMKC","inchi_key":"VLPIATFUUWWMKC-UHFFFAOYSA-N","canonical_smiles":"CC(N)COc1c(C)cccc1C","pubchem_cid":"4178","MOA":"Sodium channel blocker","chembl_id":"CHEMBL558","molregno":15958,"PubChem_ID":"4178","DrugBank_ID":"DB00379","pref_name":"MEXILETINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1985,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1986,"availability_type":1,"indication_class":"Cardiac Depressant (anti-arrhythmic)","withdrawn_flag":0}
{"pert_id":"BRD-A64125466","pert_iname":"dehydrocholate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OHXPGWPVLFPUSM","inchi_key":"OHXPGWPVLFPUSM-NDGTYXLASA-N","canonical_smiles":"C[C@H](CCC(O)=O)[C@H]1CCC2C3C(CC(=O)[C@]12C)[C@@]1(C)CCC(=O)CC1CC3=O","pubchem_cid":"6674","chembl_id":"CHEMBL514446","molregno":515105,"PubChem_ID":"6674","DrugBank_ID":"DB11622","pref_name":"DEHYDROCHOLIC ACID","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"availability_type":-1,"indication_class":"Choleretic","withdrawn_flag":0,"mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Dehydrocholic acid is a synthetic bile acid, manufactured by the oxidation of cholic acid. It acts as a hydrocholeretic, increasing bile output to clear increased bile acid load."}
{"pert_id":"BRD-A64227845","pert_iname":"SKF-77434","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QBUVZVXIRYFENV","inchi_key":"QBUVZVXIRYFENV-UHFFFAOYSA-N","canonical_smiles":"Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O","pubchem_cid":"11957703","MOA":"Dopamine receptor agonist","chembl_id":"CHEMBL1256885","molregno":705878,"PubChem_ID":"11957703","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A64228451","pert_iname":"terreic-acid-(-)","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NYFMSQHOGRWGFD","inchi_key":"NYFMSQHOGRWGFD-OOEDRKFMSA-N","canonical_smiles":"CC1C(=O)[C@H]2O[C@H]2C(=O)C1=O","pubchem_cid":"44483234"}
{"pert_id":"BRD-A64242993","pert_iname":"lanatoside-c","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JAYAGJDXJIDEKI","inchi_key":"JAYAGJDXJIDEKI-YBYZECQXSA-N","canonical_smiles":"C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)C(CCC3C2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1","pubchem_cid":"5702228"}
{"pert_id":"BRD-A64479082","pert_iname":"quinidine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LOUPRKONTZGTKE","inchi_key":"LOUPRKONTZGTKE-UHFFFAOYSA-N","canonical_smiles":"COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1","pubchem_cid":"11068","MOA":"Sodium channel blocker"}
{"pert_id":"BRD-A64489120","pert_iname":"6-nitronorepinephrine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PUHLVDZPLRDOBQ","inchi_key":"PUHLVDZPLRDOBQ-UHFFFAOYSA-N","canonical_smiles":"NCC(O)c1cc(O)c(O)cc1[N+]([O-])=O","pubchem_cid":"44287635","chembl_id":"CHEMBL40257","molregno":60563,"PubChem_ID":"44287635","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A64610707","pert_iname":"pranoprofen","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"TVQZAMVBTVNYLA","inchi_key":"TVQZAMVBTVNYLA-UHFFFAOYSA-N","canonical_smiles":"CC(C(O)=O)c1ccc2Oc3ncccc3Cc2c1","pubchem_cid":"4888","chembl_id":"CHEMBL367463","molregno":293341,"PubChem_ID":"4888","DrugBank_ID":"DB13514","pref_name":"PRANOPROFEN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-profen","usan_stem_definition":"anti-inflammatory/analgesic agents (ibuprofen type)","withdrawn_flag":0}
{"pert_id":"BRD-A64811980","pert_iname":"NK42-I-109-1","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VBJQDHGYODLBBC","inchi_key":"VBJQDHGYODLBBC-UHFFFAOYSA-N","canonical_smiles":"CN(CC(O)CC(O)c1ccccc1)Cc2ccccc2","pubchem_cid":"23844163"}
{"pert_id":"BRD-A64850503","pert_iname":"BRD-A64850503","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RAHUOJTWCHPLKH","inchi_key":"RAHUOJTWCHPLKH-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)O)cc3)c(=O)n2C1c4ccc(SC)cc4","pubchem_cid":"4302116","chembl_id":"CHEMBL1609429","molregno":1033313,"PubChem_ID":"4302116","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A64933752","pert_iname":"CV-1808","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SCNILGOVBBRMBK","inchi_key":"SCNILGOVBBRMBK-UHFFFAOYSA-N","canonical_smiles":"Nc1nc(Nc2ccccc2)nc3n(cnc13)C4OC(CO)C(O)C4O","pubchem_cid":"6917803","MOA":"Adenosine receptor agonist","chembl_id":"CHEMBL1256672","molregno":705662,"PubChem_ID":"6917803","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A64977602","pert_iname":"mirtazapine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RONZAEMNMFQXRA","inchi_key":"RONZAEMNMFQXRA-UHFFFAOYSA-N","canonical_smiles":"CN1CCN2C(C1)c1ccccc1Cc1cccnc21","pubchem_cid":"4205","MOA":"Adrenergic receptor antagonist; Serotonin receptor antagonist","chembl_id":"CHEMBL654","molregno":27610,"PubChem_ID":"4205","DrugBank_ID":"DB00370","pref_name":"MIRTAZAPINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1996,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1989,"availability_type":1,"usan_stem":"-pine","usan_stem_definition":"tricyclic compounds","indication_class":"Antidepressant","withdrawn_flag":0,"mechanism_of_action":"Adrenergic receptor alpha-2 antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A65013509","pert_iname":"oxybutynin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XIQVNETUBQGFHX","inchi_key":"XIQVNETUBQGFHX-UHFFFAOYSA-N","canonical_smiles":"CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1","pubchem_cid":"91505","MOA":"Acetylcholine receptor antagonist"}
{"pert_id":"BRD-A65051990","pert_iname":"acenocoumarol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VABCILAOYCMVPS","inchi_key":"VABCILAOYCMVPS-UHFFFAOYSA-N","canonical_smiles":"CC(=O)CC(c1ccc(cc1)[N+]([O-])=O)c1c(O)c2ccccc2oc1=O","pubchem_cid":"54676537","chembl_id":"CHEMBL397420","molregno":394206,"PubChem_ID":"54676537","DrugBank_ID":"DB01418","pref_name":"ACENOCOUMAROL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-1,"usan_stem":"-arol","usan_stem_definition":"anticoagulants (dicumarol type)","withdrawn_flag":0,"mechanism_of_action":"Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Inhibits the reduction of vitamin K by vitamin K epoxide reductase. This prevents carboxylation of vitamin K-dependent clotting factors, II, VII, XI and X, and interferes with coagulation."}
{"pert_id":"BRD-A65140285","pert_iname":"BRD-A65140285","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MVKKHTOWVDIYTH","inchi_key":"MVKKHTOWVDIYTH-UHFFFAOYSA-N","canonical_smiles":"NC1Cc2ccc(O)cc2NC1=O","pubchem_cid":"73554815"}
{"pert_id":"BRD-A65145453","pert_iname":"ATPA","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"PIXJURSCCVBKRF","inchi_key":"PIXJURSCCVBKRF-UHFFFAOYSA-N","canonical_smiles":"CC(C)(C)c1onc(O)c1CC(N)C(O)=O","pubchem_cid":"2253","MOA":"Glutamate receptor agonist"}
{"pert_id":"BRD-A65280694","pert_iname":"molindone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"KLPWJLBORRMFGK","inchi_key":"KLPWJLBORRMFGK-UHFFFAOYSA-N","canonical_smiles":"CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12","pubchem_cid":"23897","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL460","molregno":3799,"PubChem_ID":"23897","DrugBank_ID":"DB01618","pref_name":"MOLINDONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1974,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1967,"availability_type":1,"indication_class":"Antipsychotic","withdrawn_flag":0}
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{"pert_id":"BRD-A66395008","pert_iname":"parthenolide","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KTEXNACQROZXEV","inchi_key":"KTEXNACQROZXEV-LKQBIRKESA-N","canonical_smiles":"C\\C1=C/CC[C@]2(C)OC2[C@H]2OC(=O)C(=C)[C@@H]2CC1","pubchem_cid":"24870789","MOA":"Adiponectin receptor agonist; NFkB pathway inhibitor"}
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{"pert_id":"BRD-A66559694","pert_iname":"naltrexone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DQCKKXVULJGBQN","inchi_key":"DQCKKXVULJGBQN-PODIIYFMSA-N","canonical_smiles":"Oc1ccc2C[C@H]3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35O","pubchem_cid":"5360515","MOA":"Opioid receptor antagonist","chembl_id":"CHEMBL19019","molregno":21459,"PubChem_ID":"5360515","DrugBank_ID":"DB00704","pref_name":"NALTREXONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1984,"oral":1,"parenteral":1,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1973,"availability_type":1,"usan_stem":"nal-","usan_stem_definition":"narcotic agonists/antagonists (normorphine type)","indication_class":"Antagonist (to narcotics)","withdrawn_flag":0,"mechanism_of_action":"Opioid receptors; mu/kappa/delta antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A66563878","pert_iname":"medetomidine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CUHVIMMYOGQXCV","inchi_key":"CUHVIMMYOGQXCV-UHFFFAOYSA-N","canonical_smiles":"CC(c1cnc[nH]1)c2cccc(C)c2C","pubchem_cid":"68602","MOA":"Adrenergic receptor agonist","chembl_id":"CHEMBL77921","molregno":121477,"PubChem_ID":"68602","DrugBank_ID":"DB11428","pref_name":"MEDETOMIDINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1987,"indication_class":"Sedative (veterinary); Analgesic (veterinary)","withdrawn_flag":0}
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{"pert_id":"BRD-A70182876","pert_iname":"azapropazone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MPHPHYZQRGLTBO","inchi_key":"MPHPHYZQRGLTBO-UHFFFAOYSA-N","canonical_smiles":"CCCC1C(=O)N2N(C1=O)c1cc(C)ccc1N=C2N(C)C","pubchem_cid":"26098","chembl_id":"CHEMBL1565476","molregno":989360,"PubChem_ID":"26098","pref_name":"APAZONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1969,"availability_type":-1,"indication_class":"Anti-Inflammatory","withdrawn_flag":0,"mechanism_of_action":"Cyclooxygenase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Apazone is a non-steroidal antiinflammatory drug that has a weak anti-cyclooxygenase-1 and anti-cyclooxygenase-2 activity.","selectivity_comment":"Apazone has a weak anti-cyclooxygenase-1 and anti-cyclooxygenase-2 activity."}
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{"pert_id":"BRD-A70633932","pert_iname":"BRD-A70633932","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PEURBQVGOLBSHL","inchi_key":"PEURBQVGOLBSHL-UHFFFAOYSA-N","canonical_smiles":"CCCCCC1OC2=C(C(O)C1(C)O)C(=O)N(OC)C2CSCC(O)C(=O)O","pubchem_cid":"23786305"}
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{"pert_id":"BRD-A71171460","pert_iname":"UGISS-186","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HEHTZOHUEZAKJK","inchi_key":"HEHTZOHUEZAKJK-FYOULYMHSA-N","canonical_smiles":"CC1CC\\C=C/[C@H]2OC34C=CCN(C(=O)[C@H]3N(CCCO)C(=O)[C@@H]4C2C(=O)O1)C(C)(C)C","pubchem_cid":"23777784"}
{"pert_id":"BRD-A71203467","pert_iname":"L-stepholidine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JKPISQIIWUONPB","inchi_key":"JKPISQIIWUONPB-UHFFFAOYSA-N","canonical_smiles":"COc1cc2CCN3Cc4c(OC)c(O)ccc4CC3c2cc1O","pubchem_cid":"6917970","chembl_id":"CHEMBL487387","molregno":442585,"PubChem_ID":"6917970","pref_name":"STEPHOLIDINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-A71339955","pert_iname":"BRD-A71339955","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SJECLOIEXPEKND","inchi_key":"SJECLOIEXPEKND-UHFFFAOYSA-N","canonical_smiles":"CCc1sc(nc1c2ccccc2)N3C(=O)C4C5CCC(C4C3=O)C5=C(C)C","pubchem_cid":"4624993","chembl_id":"CHEMBL1578757","molregno":1002641,"PubChem_ID":"4624993","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-A71390734","pert_iname":"idarubicin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XDXDZDZNSLXDNA","inchi_key":"XDXDZDZNSLXDNA-YMYDAGKFSA-N","canonical_smiles":"CC1OC(CC(N)C1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O","pubchem_cid":"42594","MOA":"Topoisomerase inhibitor","chembl_id":"CHEMBL25839","molregno":31468,"PubChem_ID":"42594","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A71459254","pert_iname":"cymarin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XQCGNURMLWFQJR","inchi_key":"XQCGNURMLWFQJR-LZLVDNNYSA-N","canonical_smiles":"COC1CC(O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)C(CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)OC(C)C1O","pubchem_cid":"441853","MOA":"ATPase inhibitor","chembl_id":"CHEMBL1075788","molregno":610498,"PubChem_ID":"441853","DrugBank_ID":"DB13240","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-A72024019","pert_iname":"tunicamycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DBOBJBKGUAJFQX","inchi_key":"DBOBJBKGUAJFQX-ALCCZGGFSA-N","canonical_smiles":"CC(C)C\\C=C/C(=O)NC1C(OC2OC(C)C(O)C(O)C2NC(C)=O)OC(CC(O)C2OC(C(O)C2O)n2ccc(=O)[nH]c2=O)C(O)C1O","pubchem_cid":"73438893","MOA":"GLCNAC phosphotransferase inhibitor"}
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{"pert_id":"BRD-A76019558","pert_iname":"ketoconazole","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XMAYWYJOQHXEEK","inchi_key":"XMAYWYJOQHXEEK-UHFFFAOYSA-N","canonical_smiles":"CC(=O)N1CCN(CC1)c2ccc(OCC3COC(Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2","pubchem_cid":"3823","MOA":"Sterol demethylase inhibitor","chembl_id":"CHEMBL157101","molregno":255904,"PubChem_ID":"3823","DrugBank_ID":"DB01026","pref_name":"KETOCONAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1981,"oral":1,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1978,"availability_type":2,"usan_stem":"-conazole","usan_stem_definition":"systemic antifungals (miconazole type)","withdrawn_flag":0,"mechanism_of_action":"Cytochrome P450 51 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-A77864279","pert_iname":"BRD-A77864279","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LSHRDKPBUUXBAF","inchi_key":"LSHRDKPBUUXBAF-UHFFFAOYSA-N","canonical_smiles":"CN(C)C1CCc2c(C1)ccc(O)c2O","pubchem_cid":"37033","chembl_id":"CHEMBL146419","molregno":244898,"PubChem_ID":"37033","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-A78303415","pert_iname":"hyoscyamine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RKUNBYITZUJHSG","inchi_key":"RKUNBYITZUJHSG-QGAIPKOMSA-N","canonical_smiles":"CN1C2CC[C@@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1","pubchem_cid":"154417","MOA":"Acetylcholine receptor antagonist","chembl_id":"CHEMBL2449003","molregno":1591028,"PubChem_ID":"154417","pref_name":"ENDO-ATROPINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A78322124","pert_iname":"dobutamine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JRWZLRBJNMZMFE","inchi_key":"JRWZLRBJNMZMFE-UHFFFAOYSA-N","canonical_smiles":"CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1","pubchem_cid":"36811","MOA":"Adrenergic receptor agonist","chembl_id":"CHEMBL926","molregno":84505,"PubChem_ID":"36811","DrugBank_ID":"DB00841","pref_name":"DOBUTAMINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1978,"oral":0,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1972,"availability_type":1,"indication_class":"Cardiotonic","withdrawn_flag":0}
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{"pert_id":"BRD-A80017228","pert_iname":"bendroflumethiazide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HDWIHXWEUNVBIY","inchi_key":"HDWIHXWEUNVBIY-UHFFFAOYSA-N","canonical_smiles":"NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F","pubchem_cid":"2315","MOA":"Sodium/potassium/chloride transporter inhibitor","chembl_id":"CHEMBL1684","molregno":515239,"PubChem_ID":"2315","DrugBank_ID":"DB00436","pref_name":"BENDROFLUMETHIAZIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1959,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"usan_stem":"-thiazide","usan_stem_definition":"diuretics (thiazide derivatives)","indication_class":"Antihypertensive; Diuretic","withdrawn_flag":0,"mechanism_of_action":"Thiazide-sensitive sodium-chloride cotransporter inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-A85280935","pert_iname":"quinpirole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FTSUPYGMFAPCFZ","inchi_key":"FTSUPYGMFAPCFZ-UHFFFAOYSA-N","canonical_smiles":"CCCN1CCCC2Cc3n[nH]cc3CC21","pubchem_cid":"54562","MOA":"Dopamine receptor agonist","chembl_id":"CHEMBL240773","molregno":405786,"PubChem_ID":"54562","pref_name":"QUINPIROLE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1984,"indication_class":"Antihypertensive","withdrawn_flag":0}
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{"pert_id":"BRD-A85860691","pert_iname":"chaetocin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"PZPPOCZWRGNKIR","inchi_key":"PZPPOCZWRGNKIR-UHFFFAOYSA-N","canonical_smiles":"CN1C(=O)C23CC4(C(Nc5ccccc54)N3C(=O)C1(CO)SS2)C67CC8(SSC9(CO)N(C)C8=O)N(C7Nc%10ccccc%106)C9=O","pubchem_cid":"161591","MOA":"Histone lysine methyltransferase inhibitor"}
{"pert_id":"BRD-A85891951","pert_iname":"BRD-A85891951","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QUVMAECBIAMORA","inchi_key":"QUVMAECBIAMORA-UHFFFAOYSA-N","canonical_smiles":"O=C(Cc1ccccc1)Nc2ncnc3Oc4ccc5ccccc5c4C(c6ccccc6)c23","pubchem_cid":"25109906","chembl_id":"CHEMBL1371032","molregno":794916,"PubChem_ID":"25109906","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A86044036","pert_iname":"flurbiprofen-(+/-)","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SYTBZMRGLBWNTM","inchi_key":"SYTBZMRGLBWNTM-UHFFFAOYSA-N","canonical_smiles":"CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1","pubchem_cid":"3394","chembl_id":"CHEMBL563","molregno":16308,"PubChem_ID":"3394","DrugBank_ID":"DB00712","pref_name":"FLURBIPROFEN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1986,"oral":1,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"availability_type":1,"usan_stem":"-profen","usan_stem_definition":"anti-inflammatory/analgesic agents (ibuprofen type)","indication_class":"Anti-Inflammatory; Analgesic,Inhibitor (prostaglandin synthesis)","withdrawn_flag":0,"mechanism_of_action":"Cyclooxygenase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A86146706","pert_iname":"BRD-A86146706","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NFZXVRVJLHAISS","inchi_key":"NFZXVRVJLHAISS-UHFFFAOYSA-N","canonical_smiles":"NC(Cc1cc(O)c(O)c(Cl)c1)C(O)=O","pubchem_cid":"73707555"}
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{"pert_id":"BRD-A87384553","pert_iname":"BRD-A87384553","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HHDALWQXVCDEME","inchi_key":"HHDALWQXVCDEME-UHFFFAOYSA-N","canonical_smiles":"O=C(NC(Cc1ccccc1)Cn1cc(CN2C(COCC2=O)c2ccccc2)nn1)Nc1ccccc1","pubchem_cid":"24123691"}
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{"pert_id":"BRD-A87479750","pert_iname":"tenidap","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IGPDWKCUDHIIRL","inchi_key":"IGPDWKCUDHIIRL-UHFFFAOYSA-N","canonical_smiles":"NC(=O)N1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc12","pubchem_cid":"57946","MOA":"Cyclooxygenase inhibitor"}
{"pert_id":"BRD-A87606379","pert_iname":"nadolol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VWPOSFSPZNDTMJ","inchi_key":"VWPOSFSPZNDTMJ-UCWKZMIHSA-N","canonical_smiles":"CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12","pubchem_cid":"39147","MOA":"Adrenergic receptor antagonist","chembl_id":"CHEMBL649","molregno":27570,"PubChem_ID":"39147","DrugBank_ID":"DB01203","pref_name":"NADOLOL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1979,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"availability_type":1,"usan_stem":"-adol-; -olol","usan_stem_definition":"analgesics (mixed opiate receptor agonists/antagonists); beta-blockers (propranolol type)","indication_class":"Anti-Adrenergic (beta-receptor)","withdrawn_flag":0,"mechanism_of_action":"Beta-1 adrenergic receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A87715314","pert_iname":"pronetalol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HRSANNODOVBCST","inchi_key":"HRSANNODOVBCST-UHFFFAOYSA-N","canonical_smiles":"CC(C)NCC(O)c1ccc2ccccc2c1","pubchem_cid":"4930","chembl_id":"CHEMBL16476","molregno":18271,"PubChem_ID":"4930","pref_name":"PRONETALOL","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"usan_stem":"-alol","usan_stem_definition":"combined alpha and beta receptors","withdrawn_flag":1,"withdrawn_year":1965,"withdrawn_country":"United Kingdom","withdrawn_reason":"Animal carcinogenicity (rodent)","withdrawn_class":"Carcinogenicity","mechanism_of_action":"Beta-1 adrenergic receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Non-selective beta blocker clinical candidate. It was never used clinically."}
{"pert_id":"BRD-A87719232","pert_iname":"naproxen","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CMWTZPSULFXXJA","inchi_key":"CMWTZPSULFXXJA-UHFFFAOYSA-N","canonical_smiles":"COc1ccc2cc(ccc2c1)C(C)C(=O)O","pubchem_cid":"1302","MOA":"Cyclooxygenase inhibitor","chembl_id":"CHEMBL12952","molregno":11731,"PubChem_ID":"1302","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A87848830","pert_iname":"bimatoprost","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"AQOKCDNYWBIDND","inchi_key":"AQOKCDNYWBIDND-NFTGKOCPSA-N","canonical_smiles":"CCNC(=O)CCC\\C=C/CC1C(O)CC(O)[C@@H]1\\C=C\\C(O)CCc1ccccc1","pubchem_cid":"46780805","MOA":"Prostanoid receptor agonist"}
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{"pert_id":"BRD-A88254928","pert_iname":"salbutamol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NDAUXUAQIAJITI","inchi_key":"NDAUXUAQIAJITI-UHFFFAOYSA-N","canonical_smiles":"CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","pubchem_cid":"2083","MOA":"Adrenergic receptor agonist","chembl_id":"CHEMBL714","molregno":34094,"PubChem_ID":"2083","DrugBank_ID":"DB01001","pref_name":"ALBUTEROL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1981,"oral":1,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1971,"availability_type":1,"usan_stem":"-terol","usan_stem_definition":"bronchodilators (phenethylamine derivatives)","indication_class":"Bronchodilator","withdrawn_flag":0,"mechanism_of_action":"Beta-2 adrenergic receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A88282067","pert_iname":"delcorine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XTLROSDJDZHIIK","inchi_key":"XTLROSDJDZHIIK-YUXMBUEVSA-N","canonical_smiles":"CCN1C[C@]2(COC)CC[C@H](OC)[C@]3([C@@H]4C[C@H]5[C@H](OC)[C@@H]4[C@@]6(C[C@@H]5OC)OCO[C@]76[C@@H](O)[C@@H]32)C17","pubchem_cid":"441724","MOA":"Antiarrhythmic; Ganglionic blocker"}
{"pert_id":"BRD-A88504692","pert_iname":"BRD-A88504692","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XZDUKSHHCKAMIC","inchi_key":"XZDUKSHHCKAMIC-UHFFFAOYSA-N","canonical_smiles":"CCn1cc(C(C)NC(=S)Nc2cccc(c2)[N+](=O)[O-])c(C)n1","pubchem_cid":"2956635"}
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{"pert_id":"BRD-A88774919","pert_iname":"doxycycline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VXVNYCRICCVPTD","inchi_key":"VXVNYCRICCVPTD-UHFFFAOYSA-N","canonical_smiles":"CC1C2C(O)C3C(N(C)C)C(=O)C(C(N)=O)C(=O)C3(O)C(=O)C2C(=O)c2c(O)cccc12","pubchem_cid":"54416524","MOA":"Bacterial 30S ribosomal subunit inhibitor; Metalloproteinase inhibitor"}
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{"pert_id":"BRD-A94543220","pert_iname":"bifonazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OCAPBUJLXMYKEJ","inchi_key":"OCAPBUJLXMYKEJ-UHFFFAOYSA-N","canonical_smiles":"c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1","pubchem_cid":"2378","MOA":"Sterol demethylase inhibitor","chembl_id":"CHEMBL277535","molregno":16973,"PubChem_ID":"2378","DrugBank_ID":"DB04794","pref_name":"BIFONAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1981,"availability_type":-1,"indication_class":"Antifungal","withdrawn_flag":0}
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{"pert_id":"BRD-A94567954","pert_iname":"BRD-A94567954","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HTAQOIIMDZRODK","inchi_key":"HTAQOIIMDZRODK-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1OC)C2c3c(Oc4ccc5ccccc5c24)ncn(CCN6CCOCC6)c3=N","pubchem_cid":"3719993","chembl_id":"CHEMBL1338432","molregno":762316,"PubChem_ID":"3719993","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A94570195","pert_iname":"BRD-A94570195","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JJGHVQNGNRZIMN","inchi_key":"JJGHVQNGNRZIMN-UHFFFAOYSA-N","canonical_smiles":"Nc1ncnc2Oc3ccc4ccccc4c3C(c5ccccc5)c12","pubchem_cid":"4464266","chembl_id":"CHEMBL1333735","molregno":757619,"PubChem_ID":"4464266","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A94669766","pert_iname":"naringenin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FTVWIRXFELQLPI","inchi_key":"FTVWIRXFELQLPI-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2","pubchem_cid":"439246","MOA":"Aromatase inhibitor; TRPV antagonist","chembl_id":"CHEMBL9352","molregno":5170,"PubChem_ID":"439246","DrugBank_ID":"DB03467","pref_name":"NARINGENIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A94675310","pert_iname":"BRD-A94675310","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OVZWUDZIAAHNFG","inchi_key":"OVZWUDZIAAHNFG-UHFFFAOYSA-N","canonical_smiles":"CN(C(CN1CCCC1)c2ccccc2)C(=O)Cc3ccccc3","pubchem_cid":"NotFound"}
{"pert_id":"BRD-A94709349","pert_iname":"metaxalone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IMWZZHHPURKASS","inchi_key":"IMWZZHHPURKASS-UHFFFAOYSA-N","canonical_smiles":"Cc1cc(C)cc(OCC2CNC(=O)O2)c1","pubchem_cid":"15459","MOA":"Muscle relaxant","chembl_id":"CHEMBL1079604","molregno":611679,"PubChem_ID":"15459","DrugBank_ID":"DB00660","pref_name":"METAXALONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1962,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1962,"availability_type":1,"indication_class":"Relaxant (skeletal muscle)","withdrawn_flag":0,"mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-A94793051","pert_iname":"gestrinone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OXHNQTSIKGHVBH","inchi_key":"OXHNQTSIKGHVBH-WVVQBRDUSA-N","canonical_smiles":"CC[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]12CC","pubchem_cid":"73707430","MOA":"Progesterone receptor antagonist"}
{"pert_id":"BRD-A94810754","pert_iname":"ionomycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DICYOBFZDAWHJC","inchi_key":"DICYOBFZDAWHJC-JJUPKYKSSA-N","canonical_smiles":"CCC[C@@H](C)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C\\C=C\\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@](C)(O1)C1CC[C@](C)(O1)[C@@H](C)O","pubchem_cid":"73652146"}
{"pert_id":"BRD-A95074085","pert_iname":"dibutyryl-cAMP-Na","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CJGYSWNGNKCJSB","inchi_key":"CJGYSWNGNKCJSB-KYWZPLQMSA-N","canonical_smiles":"CCCC(=O)Nc1ncnc2n(cnc12)[C@H]1O[C@H]2COP(O)(=O)O[C@@H]2[C@@H]1OC(=O)CCC","pubchem_cid":"51397512"}
{"pert_id":"BRD-A95096829","pert_iname":"PNU-96415E","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UKOCGOXTVCIACM","inchi_key":"UKOCGOXTVCIACM-UHFFFAOYSA-N","canonical_smiles":"Fc1ccc(cc1)N2CCN(CCC3OCCc4ccccc34)CC2","pubchem_cid":"9909648","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL81330","molregno":127837,"PubChem_ID":"9909648","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-A95504714","pert_iname":"BRD-A95504714","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KSMSCIVZGKJSMS","inchi_key":"KSMSCIVZGKJSMS-UHFFFAOYSA-N","canonical_smiles":"Brc1ccc(cc1)C(=O)NCCC(=O)NC2CCCc3ccccc23","pubchem_cid":"16273161","chembl_id":"CHEMBL1316177","molregno":740061,"PubChem_ID":"16273161","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A95513702","pert_iname":"androsta-1,4-dien-3,17-dione","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LUJVUUWNAPIQQI","inchi_key":"LUJVUUWNAPIQQI-WFZCBACDSA-N","canonical_smiles":"C[C@@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C2CCC1=O","pubchem_cid":"13472","MOA":"Aromatase inhibitor","chembl_id":"CHEMBL1078534","molregno":617790,"PubChem_ID":"13472","DrugBank_ID":"DB07373","pref_name":"ANDROSTENEDONE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-A95602221","pert_iname":"celiprolol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JOATXPAWOHTVSZ","inchi_key":"JOATXPAWOHTVSZ-UHFFFAOYSA-N","canonical_smiles":"CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O","pubchem_cid":"2663","chembl_id":"CHEMBL27810","molregno":36502,"PubChem_ID":"2663","DrugBank_ID":"DB04846","pref_name":"CELIPROLOL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1981,"availability_type":-1,"usan_stem":"-olol","usan_stem_definition":"beta-blockers (propranolol type)","indication_class":"Anti-Adrenergic (beta-receptor)","withdrawn_flag":0,"mechanism_of_action":"Adrenergic receptor alpha-2 antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Celiprolol was developed as a third-generation β-adrenoceptor antagonist with selective β1-antagonist, partial β2-agonist, and mild α2-antagonist actions. Given this combination of effects, celiprolol may be better described as a selective adrenoreceptor modulator. It has antihypertensive and antianginal properties.","selectivity_comment":"Weak antagonist."}
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{"pert_id":"BRD-K02637541","pert_iname":"celecoxib","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RZEKVGVHFLEQIL","inchi_key":"RZEKVGVHFLEQIL-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F","pubchem_cid":"2662","MOA":"Cyclooxygenase inhibitor","chembl_id":"CHEMBL118","molregno":18694,"PubChem_ID":"2662","DrugBank_ID":"DB00482","pref_name":"CELECOXIB","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1998,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1998,"availability_type":1,"usan_stem":"-coxib","usan_stem_definition":"cyclooxygenase-2 inhibitors","withdrawn_flag":1,"withdrawn_year":2011,"withdrawn_country":"European Union","mechanism_of_action":"Cyclooxygenase-2 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K05906022","pert_iname":"limonin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"KBDSLGBFQAGHBE","inchi_key":"KBDSLGBFQAGHBE-MSGMIQHVSA-N","canonical_smiles":"CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]4(C)[C@@H]3CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@]654)c7ccoc7","pubchem_cid":"179651","MOA":"HIV protease inhibitor","chembl_id":"CHEMBL517449","molregno":463229,"PubChem_ID":"179651","pref_name":"LIMONIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K05912972","pert_iname":"BRD-K05912972","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HYEFXMLKRFQNEN","inchi_key":"HYEFXMLKRFQNEN-PWRHEVILSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc5OCOc5c4)cc3C1=O","pubchem_cid":"44619181"}
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{"pert_id":"BRD-K05977355","pert_iname":"fluconazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RFHAOTPXVQNOHP","inchi_key":"RFHAOTPXVQNOHP-UHFFFAOYSA-N","canonical_smiles":"OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F","pubchem_cid":"3365","MOA":"Sterol demethylase inhibitor","chembl_id":"CHEMBL106","molregno":13758,"PubChem_ID":"3365","DrugBank_ID":"DB00196","pref_name":"FLUCONAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1990,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1988,"availability_type":1,"usan_stem":"-conazole","usan_stem_definition":"systemic antifungals (miconazole type)","indication_class":"Antifungal","withdrawn_flag":0,"mechanism_of_action":"Cytochrome P450 51 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K05977823","pert_iname":"tenovin-1","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WOWJIWFCOPZFGV","inchi_key":"WOWJIWFCOPZFGV-UHFFFAOYSA-N","canonical_smiles":"CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1","pubchem_cid":"1013376","chembl_id":"CHEMBL1436543","molregno":860427,"PubChem_ID":"1013376","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K06071925","pert_iname":"BRD-K06071925","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GPFIDTWNGXWRJK","inchi_key":"GPFIDTWNGXWRJK-PHBCIFJZSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)OCCCC[C@@H](C)Oc3ccc(cc3C1=O)N(C)C","pubchem_cid":"44494986"}
{"pert_id":"BRD-K06080977","pert_iname":"eicosatetraynoic-acid","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MGLDCXPLYOWQRP","inchi_key":"MGLDCXPLYOWQRP-UHFFFAOYSA-N","canonical_smiles":"CCCCCC#CCC#CCC#CCC#CCCCC(=O)O","pubchem_cid":"1780","MOA":"Cyclooxygenase inhibitor; Lipoxygenase inhibitor","chembl_id":"CHEMBL458328","molregno":505123,"PubChem_ID":"1780","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K06181161","pert_iname":"pentoxyverine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CFJMRBQWBDQYMK","inchi_key":"CFJMRBQWBDQYMK-UHFFFAOYSA-N","canonical_smiles":"CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1","pubchem_cid":"90010","chembl_id":"CHEMBL1256696","molregno":705687,"PubChem_ID":"90010","pref_name":"CARBETAPENTANE CITRATE","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"withdrawn_flag":1,"withdrawn_country":"United States","mechanism_of_action":"Sigma opioid receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Carbetapentane suppresses the cough reflex in the central nervous system, but the exact mechanism of action is not known with certainty. The drug acts as an agonist at sigma receptors (subtype σ1).","selectivity_comment":"Binding affinity (determined by competitive binding to [3H]-pentazocine-labelled sites on guinea-pig brain membranes): 75+- 28 nM, n=3"}
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{"pert_id":"BRD-K06817181","pert_iname":"1,2,3,4,5,6-hexabromocyclohexane","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QFQZKISCBJKVHI","inchi_key":"QFQZKISCBJKVHI-UHFFFAOYSA-N","canonical_smiles":"BrC1C(Br)C(Br)C(Br)C(Br)C1Br","pubchem_cid":"74603","chembl_id":"CHEMBL444236","molregno":485115,"PubChem_ID":"74603","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K06854232","pert_iname":"AM-580","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SZWKGOZKRMMLAJ","inchi_key":"SZWKGOZKRMMLAJ-UHFFFAOYSA-N","canonical_smiles":"CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O","pubchem_cid":"2126","MOA":"Retinoid receptor agonist","chembl_id":"CHEMBL69367","molregno":109312,"PubChem_ID":"2126","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K06878038","pert_iname":"deferiprone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"TZXKOCQBRNJULO","inchi_key":"TZXKOCQBRNJULO-UHFFFAOYSA-N","canonical_smiles":"Cc1c(O)c(=O)ccn1C","pubchem_cid":"2972","MOA":"Chelating agent","chembl_id":"CHEMBL70927","molregno":112090,"PubChem_ID":"2972","DrugBank_ID":"DB08826","pref_name":"DEFERIPRONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1999,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2008,"availability_type":1,"withdrawn_flag":0,"mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K06895174","pert_iname":"cisapride","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"DCSUBABJRXZOMT","inchi_key":"DCSUBABJRXZOMT-IRLDBZIGSA-N","canonical_smiles":"CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC","pubchem_cid":"2769","MOA":"Serotonin receptor agonist","chembl_id":"CHEMBL1729","molregno":557741,"PubChem_ID":"2769","pref_name":"CISAPRIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1993,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1983,"availability_type":-2,"usan_stem":"-pride","usan_stem_definition":"sulpride derivatives","indication_class":"Stimulant (peristaltic)","withdrawn_flag":1,"withdrawn_year":2000,"withdrawn_country":"United States","withdrawn_reason":"Fatal arrhythmia","withdrawn_class":"Cardiotoxicity","mechanism_of_action":"Serotonin 4 (5-HT4) receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K06896230","pert_iname":"BRD-K06896230","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OJTGKSLRGSSVTQ","inchi_key":"OJTGKSLRGSSVTQ-AQNXPRMDSA-N","canonical_smiles":"CCc1csc(n1)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)C1=CCCC1","pubchem_cid":"54650543"}
{"pert_id":"BRD-K06898795","pert_iname":"BRD-K06898795","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RURCVUPVTVMLLB","inchi_key":"RURCVUPVTVMLLB-IPMKNSEASA-N","canonical_smiles":"CN1C[C@H]2[C@H]([C@@H](CO)N2Cc2ccccc2Cl)c2ccccc12","pubchem_cid":"54652413"}
{"pert_id":"BRD-K06902185","pert_iname":"minoxidil","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZFMITUMMTDLWHR","inchi_key":"ZFMITUMMTDLWHR-UHFFFAOYSA-N","canonical_smiles":"Nc1cc(nc(N)[n+]1[O-])N1CCCCC1","pubchem_cid":"4201","MOA":"KATP activator; KIR6 channel (KATP) activator; Vasodilator","chembl_id":"CHEMBL609587","molregno":591036,"PubChem_ID":"4201","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K06926592","pert_iname":"tretinoin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SHGAZHPCJJPHSC","inchi_key":"SHGAZHPCJJPHSC-UHFFFAOYSA-N","canonical_smiles":"CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C","pubchem_cid":"444795","MOA":"Retinoid receptor agonist; Retinoid receptor ligand","chembl_id":"CHEMBL38","molregno":2208,"PubChem_ID":"444795","DrugBank_ID":"DB00755","pref_name":"TRETINOIN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1971,"oral":1,"parenteral":0,"topical":1,"natural_product":1,"inorganic_flag":0,"usan_year":1970,"availability_type":1,"usan_stem":"-retin-","usan_stem_definition":"retinol derivatives","indication_class":"Keratolytic","withdrawn_flag":0,"mechanism_of_action":"Retinoic acid receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K06956503","pert_iname":"BRD-K06956503","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ISTWZTLJICEOOO","inchi_key":"ISTWZTLJICEOOO-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc(CN(CCCCNC(=S)NCCCc2c[nH]cn2)c2ccc(Br)cn2)cc1","pubchem_cid":"44820570","chembl_id":"CHEMBL1433325","molregno":857209,"PubChem_ID":"44820570","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K06973013","pert_iname":"BRD-K06973013","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GIJXROWDOWXZEB","inchi_key":"GIJXROWDOWXZEB-FXKJGQKXSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C1=O","pubchem_cid":"44616641"}
{"pert_id":"BRD-K06980535","pert_iname":"promazine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZGUGWUXLJSTTMA","inchi_key":"ZGUGWUXLJSTTMA-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCCN1c2ccccc2Sc2ccccc12","pubchem_cid":"4926","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL564","molregno":16391,"PubChem_ID":"4926","DrugBank_ID":"DB00420","pref_name":"PROMAZINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1956,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":0,"indication_class":"Antipsychotic","withdrawn_flag":0}
{"pert_id":"BRD-K07005393","pert_iname":"BRD-K07005393","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QAVYVNAGSVFDOJ","inchi_key":"QAVYVNAGSVFDOJ-NJQVLOCASA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc3ccc(NC(=O)CCCCCC(=O)Nc4ccccc4N)cc3C1=O","pubchem_cid":"44507045","chembl_id":"CHEMBL2355034","molregno":1532223,"PubChem_ID":"44507045","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K07023879","pert_iname":"BRD-K07023879","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BNLXUKYVVAMDQV","inchi_key":"BNLXUKYVVAMDQV-VEAPHASRSA-N","canonical_smiles":"COc1ccc(cc1)[Si](C)(C)[C@@H]2[C@@H](C)[C@@]3(O[C@H]2CCO)C(=O)N(CC=C)c4ccc(I)cc43","pubchem_cid":"24869062"}
{"pert_id":"BRD-K07033348","pert_iname":"BRD-K07033348","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AOJFCTBUJGGREB","inchi_key":"AOJFCTBUJGGREB-XXAUWVGASA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)Oc3cc(ccc3S1(=O)=O)C4=CCCCC4","pubchem_cid":"54628728"}
{"pert_id":"BRD-K07061353","pert_iname":"BRD-K07061353","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OZKZBESQIKFNJU","inchi_key":"OZKZBESQIKFNJU-UHFFFAOYSA-N","canonical_smiles":"Clc1ccccc1c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2c4ccccc4","pubchem_cid":"2046011"}
{"pert_id":"BRD-K07079548","pert_iname":"BRD-K07079548","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XEXUKNQDDPKEIF","inchi_key":"XEXUKNQDDPKEIF-OAHLLOKOSA-N","canonical_smiles":"Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O","pubchem_cid":"11957524","chembl_id":"CHEMBL542493","molregno":547602,"PubChem_ID":"11957524","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K07101857","pert_iname":"BRD-K07101857","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ITSBSLMSXIBLPN","inchi_key":"ITSBSLMSXIBLPN-UHFFFAOYSA-N","canonical_smiles":"Cc1cccc(CNc2ncnc3ccc(cc23)c4ccccc4Cl)c1","pubchem_cid":"44142044","chembl_id":"CHEMBL1526962","molregno":950846,"PubChem_ID":"44142044","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K07103434","pert_iname":"pyrvinium","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JSZNAPGSRFTCQR","inchi_key":"JSZNAPGSRFTCQR-UHFFFAOYSA-N","canonical_smiles":"CN(C)c1ccc2[n+](C)c(CCc3cc(C)n(c3C)-c3ccccc3)ccc2c1","pubchem_cid":"71311933"}
{"pert_id":"BRD-K07104840","pert_iname":"SA-1455938","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PBSPTXLCKNYIOO","inchi_key":"PBSPTXLCKNYIOO-JFRXWTBNSA-N","canonical_smiles":"O[C@H]1COC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]2N(C1)C(=O)c1ccccn1","pubchem_cid":"54658744"}
{"pert_id":"BRD-K07110772","pert_iname":"SA-433965","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PLFJTCJSGHSPAZ","inchi_key":"PLFJTCJSGHSPAZ-ZRIOWSNCSA-N","canonical_smiles":"CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N(C[C@H]1C)[C@H](C)CO","pubchem_cid":"49843139"}
{"pert_id":"BRD-K07117950","pert_iname":"imperatorin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OLOOJGVNMBJLLR","inchi_key":"OLOOJGVNMBJLLR-UHFFFAOYSA-N","canonical_smiles":"CC(=CCOc1c2occc2cc3ccc(=O)oc13)C","pubchem_cid":"10212","MOA":"CDK inhibitor","chembl_id":"CHEMBL453805","molregno":443989,"PubChem_ID":"10212","pref_name":"PENTOSALEN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-sal-","usan_stem_definition":"anti-inflammatory agents (salicylic acid derivatives)","withdrawn_flag":0}
{"pert_id":"BRD-K07125273","pert_iname":"SA-1473468","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VIAXYKVUXVILCJ","inchi_key":"VIAXYKVUXVILCJ-QSFXBCCZSA-N","canonical_smiles":"COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)Cc4cccs4)cc3C(=O)N2C)O1","pubchem_cid":"54654560"}
{"pert_id":"BRD-K07161233","pert_iname":"BRD-K07161233","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VVVWGFVAXRWEMB","inchi_key":"VVVWGFVAXRWEMB-UHFFFAOYSA-N","canonical_smiles":"CNc1nc(N)c([N+](=O)[O-])c(Nc2cccc(F)c2)n1","pubchem_cid":"3528206","chembl_id":"CHEMBL1505372","molregno":929256,"PubChem_ID":"3528206","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K07208025","pert_iname":"trimethoprim","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IEDVJHCEMCRBQM","inchi_key":"IEDVJHCEMCRBQM-UHFFFAOYSA-N","canonical_smiles":"COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","pubchem_cid":"5578","chembl_id":"CHEMBL22","molregno":1216,"PubChem_ID":"5578","DrugBank_ID":"DB00440","pref_name":"TRIMETHOPRIM","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1973,"oral":1,"parenteral":1,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1964,"availability_type":1,"usan_stem":"-prim","usan_stem_definition":"antibacterials (trimethoprim type)","indication_class":"Antibacterial","withdrawn_flag":0,"mechanism_of_action":"Bacterial dihydrofolate reductase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"selectivity_comment":"Broad spectrum"}
{"pert_id":"BRD-K07212038","pert_iname":"selinidin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RRHCDWLSHIIIIT","inchi_key":"RRHCDWLSHIIIIT-NVWZYQMFSA-N","canonical_smiles":"C/C=C(/C)\\C(=O)O[C@@H]1Cc2c(OC1(C)C)ccc3ccc(=O)oc23","pubchem_cid":"668081","MOA":"Mast cell stabilizer","chembl_id":"CHEMBL457257","molregno":464796,"PubChem_ID":"668081","pref_name":"JATAMANSIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K07220430","pert_iname":"cinnarizine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"DERZBLKQOCDDDZ","inchi_key":"DERZBLKQOCDDDZ-JLHYYAGUSA-N","canonical_smiles":"C(/C=C/c1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4","pubchem_cid":"1547484","MOA":"Calcium channel blocker","chembl_id":"CHEMBL43064","molregno":66311,"PubChem_ID":"1547484","pref_name":"CINNARIZINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1962,"availability_type":-1,"indication_class":"Antihistaminic","withdrawn_flag":0,"mechanism_of_action":"Histamine H1 receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Cinnarizine is an antihistaminic, a not competitive antagonist of the H1 receptors that, probably, also acts as sedative. Specifically, its mechanism of action seems to be double: 1) the block of the passage of Ionian Calcium from endolymph to the vestibular sensory cells, suppressing their function, 2) the vasodilatation, which ameliorates the blood flow and the metabolic availability in the vestibular nuclei, with the global result of a vestibular depression."}
{"pert_id":"BRD-K07223205","pert_iname":"BRD-K07223205","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HICFFJZGXWEIHN","inchi_key":"HICFFJZGXWEIHN-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc12","pubchem_cid":"16414","chembl_id":"CHEMBL909","molregno":80414,"PubChem_ID":"16414","pref_name":"7-HYDROXYCHLORPROMAZINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K07237224","pert_iname":"moclobemide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YHXISWVBGDMDLQ","inchi_key":"YHXISWVBGDMDLQ-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc(cc1)C(=O)NCCN1CCOCC1","pubchem_cid":"4235","MOA":"Monoamine oxidase inhibitor","chembl_id":"CHEMBL86304","molregno":139099,"PubChem_ID":"4235","DrugBank_ID":"DB01171","pref_name":"MOCLOBEMIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1987,"availability_type":-1,"indication_class":"Antidepressant","withdrawn_flag":0,"mechanism_of_action":"Monoamine oxidase A inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Reversible inhibitor. "}
{"pert_id":"BRD-K07244661","pert_iname":"BRD-K07244661","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VIDGDBZXEWMIQL","inchi_key":"VIDGDBZXEWMIQL-DWLFOUALSA-N","canonical_smiles":"CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N2C)O1","pubchem_cid":"54654553"}
{"pert_id":"BRD-K07259155","pert_iname":"BRD-K07259155","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ISHUIJPLAGGONA","inchi_key":"ISHUIJPLAGGONA-UHFFFAOYSA-N","canonical_smiles":"Cn1nnnc1Sc2ncnc3scc(c4cccc(Br)c4)c23","pubchem_cid":"44142136","chembl_id":"CHEMBL1437083","molregno":860967,"PubChem_ID":"44142136","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K07265709","pert_iname":"dexrazoxane","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BMKDZUISNHGIBY","inchi_key":"BMKDZUISNHGIBY-ZETCQYMHSA-N","canonical_smiles":"C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1","pubchem_cid":"71384","chembl_id":"CHEMBL1738","molregno":567195,"PubChem_ID":"71384","DrugBank_ID":"DB00380","pref_name":"DEXRAZOXANE","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","first_approval":1995,"oral":0,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1990,"availability_type":1,"usan_stem":"-oxane","usan_stem_definition":"alpha-adrenoceptor antagonists (benzodioxane derivatives)","indication_class":"Cardioprotectant","withdrawn_flag":0}
{"pert_id":"BRD-K07275374","pert_iname":"BRD-K07275374","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JYSCHNUNWNBHFC","inchi_key":"JYSCHNUNWNBHFC-UFPGJGBJSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc3cc(C#CCN(C)C)ccc3S1(=O)=O","pubchem_cid":"54625720"}
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{"pert_id":"BRD-K09059649","pert_iname":"BRD-K09059649","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FJJBSMMGLKBUIQ","inchi_key":"FJJBSMMGLKBUIQ-ISSPKVJFSA-N","canonical_smiles":"COc1ccccc1CNC(=O)C[C@H]2C[C@@H]3[C@@H](Oc4ccc(NC(=O)c5cccnc5)cc34)[C@H](CO)O2","pubchem_cid":"54646656"}
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{"pert_id":"BRD-K09110452","pert_iname":"BRD-K09110452","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LGBLGTHPXJHZTR","inchi_key":"LGBLGTHPXJHZTR-PWHSHALESA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CN2CCOCC2)Oc3ncc(cc3C1=O)c4ccncc4","pubchem_cid":"54624763"}
{"pert_id":"BRD-K09129322","pert_iname":"dehydrocholic-acid","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OHXPGWPVLFPUSM","inchi_key":"OHXPGWPVLFPUSM-UPELEZSGSA-N","canonical_smiles":"C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O","pubchem_cid":"7091864","MOA":"Bile acid; choleretic agent"}
{"pert_id":"BRD-K09132007","pert_iname":"D-4476","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"DPDZHVCKYBCJHW","inchi_key":"DPDZHVCKYBCJHW-UHFFFAOYSA-N","canonical_smiles":"NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCCOc2c1","pubchem_cid":"6419753","MOA":"TGF beta receptor inhibitor","chembl_id":"CHEMBL410456","molregno":430613,"PubChem_ID":"6419753","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K09255212","pert_iname":"clioquinol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QCDFBFJGMNKBDO","inchi_key":"QCDFBFJGMNKBDO-UHFFFAOYSA-N","canonical_smiles":"Oc1c(I)cc(Cl)c2cccnc12","pubchem_cid":"2788","MOA":"Chelating agent","chembl_id":"CHEMBL497","molregno":8193,"PubChem_ID":"2788","DrugBank_ID":"DB04815","pref_name":"CLIOQUINOL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1982,"oral":0,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"indication_class":"Anti-Amebic; Anti-Infective, Topical","withdrawn_flag":1,"withdrawn_year":1973,"withdrawn_country":"United Kingdom; United States; Germany; France; Japan","withdrawn_reason":"Neurotoxicity","withdrawn_class":"Neurotoxicity","mechanism_of_action":"Copper chelating agent","action_type":"CHELATING AGENT","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Used as antibiotic against diarrhea in the 70s, but nowadays considered in cancer treatments (off-label), for its chelator and ionophore properties with capacity to inhibit proteosome"}
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{"pert_id":"BRD-K09631521","pert_iname":"thiotepa","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FOCVUCIESVLUNU","inchi_key":"FOCVUCIESVLUNU-UHFFFAOYSA-N","canonical_smiles":"S=P(N1CC1)(N1CC1)N1CC1","pubchem_cid":"5453","MOA":"Cytochrome P450 inhibitor","chembl_id":"CHEMBL671","molregno":28310,"PubChem_ID":"5453","DrugBank_ID":"DB04572","pref_name":"THIOTEPA","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1959,"oral":0,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"usan_stem":"-tepa","usan_stem_definition":"antineoplastics (thiotepa derivatives)","indication_class":"Antineoplastic","withdrawn_flag":0,"mechanism_of_action":"DNA inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K09859624","pert_iname":"methantheline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GZHFODJQISUKAY","inchi_key":"GZHFODJQISUKAY-UHFFFAOYSA-N","canonical_smiles":"CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc12","pubchem_cid":"4097","MOA":"Acetylcholine receptor antagonist","chembl_id":"CHEMBL1201264","molregno":675215,"PubChem_ID":"4097","DrugBank_ID":"DB00940","pref_name":"METHANTHELINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1951,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":0,"withdrawn_flag":0}
{"pert_id":"BRD-K09887211","pert_iname":"BRD-K09887211","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QBLUKXGKYQEPBB","inchi_key":"QBLUKXGKYQEPBB-UHFFFAOYSA-N","canonical_smiles":"C1CCC(CC1)(N1CCOCC1)c1cccs1","pubchem_cid":"210739"}
{"pert_id":"BRD-K09900591","pert_iname":"caffeic-acid","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QAIPRVGONGVQAS","inchi_key":"QAIPRVGONGVQAS-DUXPYHPUSA-N","canonical_smiles":"OC(=O)\\C=C\\c1ccc(O)c(O)c1","pubchem_cid":"689043","MOA":"HIV integrase inhibitor; Lipoxygenase inhibitor; NFkB pathway inhibitor; Nitric oxide production inhibitor; PPAR receptor modulator; TNF production inhibitor; Tumor necrosis factor production inhibitor","chembl_id":"CHEMBL145","molregno":37812,"PubChem_ID":"689043","DrugBank_ID":"DB01880","pref_name":"CAFFEIC ACID","max_phase":3,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-K09902564","pert_iname":"BRD-K09902564","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RQZMMGGDXZSKFJ","inchi_key":"RQZMMGGDXZSKFJ-UHFFFAOYSA-N","canonical_smiles":"C1Cc2c(CN1)scc2-c1nc2ccccc2s1","pubchem_cid":"53338850"}
{"pert_id":"BRD-K09907482","pert_iname":"PRL-3-inhibitor-I","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HXNBAOLVPAWYLT","inchi_key":"HXNBAOLVPAWYLT-OVCLIPMQSA-N","canonical_smiles":"Brc1ccc(OCc2ccccc2Br)c(/C=C\\3/SC(=S)NC3=O)c1","pubchem_cid":"73707371","MOA":"Tyrosine phosphatase inhibitor"}
{"pert_id":"BRD-K09922072","pert_iname":"BRD-K09922072","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XECIGFKOOKPZGH","inchi_key":"XECIGFKOOKPZGH-UHFFFAOYSA-N","canonical_smiles":"CCc1cccc(CC)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl","pubchem_cid":"44607580","chembl_id":"CHEMBL1316334","molregno":740218,"PubChem_ID":"44607580","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K09951645","pert_iname":"dabrafenib","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BFSMGDJOXZAERB","inchi_key":"BFSMGDJOXZAERB-UHFFFAOYSA-N","canonical_smiles":"CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F","pubchem_cid":"44462760","chembl_id":"CHEMBL2028663","molregno":1340894,"PubChem_ID":"44462760","DrugBank_ID":"DB08912","pref_name":"DABRAFENIB","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2013,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2010,"availability_type":1,"usan_stem":"-rafenib","usan_stem_definition":"raf kinase inhibitors","withdrawn_flag":0}
{"pert_id":"BRD-K09957764","pert_iname":"BRD-K09957764","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MIGUDSVICNUUNS","inchi_key":"MIGUDSVICNUUNS-QYZOEREBSA-N","canonical_smiles":"OC[C@H]1[C@H]([C@@H](CNC(=O)NC2CCCC2)N1C(=O)C1CC1)c1ccccc1","pubchem_cid":"54651479"}
{"pert_id":"BRD-K09963420","pert_iname":"saquinavir","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QWAXKHKRTORLEM","inchi_key":"QWAXKHKRTORLEM-UGJKXSETSA-N","canonical_smiles":"CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4","pubchem_cid":"441243","MOA":"HIV protease inhibitor","chembl_id":"CHEMBL114","molregno":17169,"PubChem_ID":"441243","DrugBank_ID":"DB01232","pref_name":"SAQUINAVIR","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1995,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1994,"availability_type":1,"usan_stem":"-vir","usan_stem_definition":"antivirals: HIV protease inhibitors (saquinavir type)","indication_class":"Antiviral","withdrawn_flag":0,"mechanism_of_action":"Human immunodeficiency virus type 1 protease inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K09964242","pert_iname":"BRD-K09964242","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MGOWLZBQMGKWLP","inchi_key":"MGOWLZBQMGKWLP-JXQFQVJHSA-N","canonical_smiles":"CCCN(C)C[C@@H]1Oc2cc(ccc2S(=O)(=O)N(C[C@@H]1C)[C@@H](C)CO)c3ccc(C#N)cc3","pubchem_cid":"54619906"}
{"pert_id":"BRD-K09977233","pert_iname":"BRD-K09977233","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GZBVLNACINICEX","inchi_key":"GZBVLNACINICEX-UHFFFAOYSA-N","canonical_smiles":"Cc1cc(O)c(O)c(c1)C(=O)C(=O)c2c(O)cc(O)cc2O","pubchem_cid":"24123440"}
{"pert_id":"BRD-K09989112","pert_iname":"BRD-K09989112","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UFBMXAGIJLNIBJ","inchi_key":"UFBMXAGIJLNIBJ-TZRRMPRUSA-N","canonical_smiles":"CN(C)CC#Cc1ccc(cc1)[C@H]1[C@H](CO)N2CCCCN(CC3CC3)C[C@H]12","pubchem_cid":"54669306"}
{"pert_id":"BRD-K09991945","pert_iname":"GSK-3-inhibitor-II","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZRHRPGSSSVYBRG","inchi_key":"ZRHRPGSSSVYBRG-UHFFFAOYSA-N","canonical_smiles":"Ic1cccc(CSc2nnc(o2)c3ccncc3)c1","pubchem_cid":"6539732","MOA":"PKC inhibitor","chembl_id":"CHEMBL288064","molregno":55415,"PubChem_ID":"6539732","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K09996575","pert_iname":"BRD-K09996575","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JKHLNYMUPUVSIB","inchi_key":"JKHLNYMUPUVSIB-FTRWYGJKSA-N","canonical_smiles":"CNC[C@@H]1Oc2ncc(cc2C(=O)N(C[C@@H]1C)[C@@H](C)CO)c3ccc(C)cc3","pubchem_cid":"54625380"}
{"pert_id":"BRD-K09997269","pert_iname":"BRD-K09997269","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZTWGHFOIOBUKEQ","inchi_key":"ZTWGHFOIOBUKEQ-NTUHNPAUSA-N","canonical_smiles":"[O-][N+](=O)c1ccc(/C=N/NC(=O)c2ccccn2)s1","pubchem_cid":"5334616"}
{"pert_id":"BRD-K10008415","pert_iname":"BRD-K10008415","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YZTWEKNKNNRJIX","inchi_key":"YZTWEKNKNNRJIX-YSRRZRNESA-N","canonical_smiles":"CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N(C[C@H]1C)[C@H](C)CO","pubchem_cid":"54614983"}
{"pert_id":"BRD-K10010115","pert_iname":"BRD-K10010115","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HRFSGUYFPRSXOX","inchi_key":"HRFSGUYFPRSXOX-PCLIKHOPSA-N","canonical_smiles":"Cn1cc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c3ccccc13","pubchem_cid":"44506989"}
{"pert_id":"BRD-K10016611","pert_iname":"pyridine-2-aldoxime","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JBKPUQTUERUYQE","inchi_key":"JBKPUQTUERUYQE-VOTSOKGWSA-N","canonical_smiles":"CN1C=CC=C\\C1=C/N=O","pubchem_cid":"5353895","MOA":"Acetylcholinesterase inhibitor"}
{"pert_id":"BRD-K10017294","pert_iname":"BRD-K10017294","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ONQMEPPIAFCLFG","inchi_key":"ONQMEPPIAFCLFG-DFIYOIEZSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(F)cc2)Oc3ncc(C#CCN(C)C)cc3C1=O","pubchem_cid":"44505702"}
{"pert_id":"BRD-K10042277","pert_iname":"desmethylclozapine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JNNOSTQEZICQQP","inchi_key":"JNNOSTQEZICQQP-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1","pubchem_cid":"2820","MOA":"Acetylcholine receptor agonist"}
{"pert_id":"BRD-K10057859","pert_iname":"BRD-K10057859","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YYDWZZCRNMLZSH","inchi_key":"YYDWZZCRNMLZSH-UHFFFAOYSA-N","canonical_smiles":"CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)N1CCOCC1","pubchem_cid":"44623872","chembl_id":"CHEMBL1395980","molregno":819864,"PubChem_ID":"44623872","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K10065684","pert_iname":"dantron","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QBPFLULOKWLNNW","inchi_key":"QBPFLULOKWLNNW-UHFFFAOYSA-N","canonical_smiles":"Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12","pubchem_cid":"2950","MOA":"Laxative","chembl_id":"CHEMBL53418","molregno":82895,"PubChem_ID":"2950","DrugBank_ID":"DB04816","pref_name":"DANTHRON","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"withdrawn_flag":1,"withdrawn_country":"United States","withdrawn_reason":"Carcinogenicity","withdrawn_class":"Carcinogenicity","mechanism_of_action":"Retinoid X receptor alpha antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Danthron binds to the tetrameric RXRalpha\u0001-LBD and transformed the 9cRA-induced RXR\u0001alpha-LBD dimer to tetramer. It binds to RXRalpha\u0001-LBD with a stoichimetric ratio of 1:2."}
{"pert_id":"BRD-K10087454","pert_iname":"BRD-K10087454","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KNZOATPLJIEOET","inchi_key":"KNZOATPLJIEOET-BILGYAHESA-N","canonical_smiles":"CC(C)NC(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(cc2C(=O)N(C[C@H]1C)[C@H](C)CO)N(C)C","pubchem_cid":"44490957"}
{"pert_id":"BRD-K10098805","pert_iname":"rhapontin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GKAJCVFOJGXVIA","inchi_key":"GKAJCVFOJGXVIA-DXKBKAGUSA-N","canonical_smiles":"COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O","pubchem_cid":"637213","MOA":"Apoptosis stimulant","chembl_id":"CHEMBL109266","molregno":182160,"PubChem_ID":"637213","pref_name":"RHAPONTIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K10114046","pert_iname":"BRD-K10114046","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SOKCYWHWFCNYGV","inchi_key":"SOKCYWHWFCNYGV-UHFFFAOYSA-N","canonical_smiles":"OC1(Cc2ccccc2)CCN(CC1)c1ncnc2sccc12","pubchem_cid":"44224143"}
{"pert_id":"BRD-K10136726","pert_iname":"tosyllysyl-chloromethyl-ketone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RDFCSSHDJSZMTQ","inchi_key":"RDFCSSHDJSZMTQ-CYBMUJFWSA-N","canonical_smiles":"Cc1ccc(cc1)S(=O)(=O)N[C@H](CCCCN)C(=O)CCl","pubchem_cid":"16760682","MOA":"Chymotrypsin inhibitor"}
{"pert_id":"BRD-K10143126","pert_iname":"BRD-K10143126","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LCGKYSOTAAWDQI","inchi_key":"LCGKYSOTAAWDQI-GLPSKGHJSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C1=O","pubchem_cid":"44492069"}
{"pert_id":"BRD-K10176267","pert_iname":"L-701252","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MXEFWCFPCLDOOG","inchi_key":"MXEFWCFPCLDOOG-UHFFFAOYSA-N","canonical_smiles":"Oc1c(C(=O)C2CC2)c(=O)[nH]c2cc(Cl)ccc12","pubchem_cid":"4237309","MOA":"Glutamate receptor antagonist"}
{"pert_id":"BRD-K10177585","pert_iname":"PSB-11","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RGDHRCXUMURWBJ","inchi_key":"RGDHRCXUMURWBJ-LLVKDONJSA-N","canonical_smiles":"CC[C@@H]1CN2C(=N1)c1[nH]c(nc1N(C)C2=O)-c1ccccc1","pubchem_cid":"9882625","MOA":"Adenosine receptor antagonist"}
{"pert_id":"BRD-K10211010","pert_iname":"BRD-K10211010","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OJBHRHOQEWVARJ","inchi_key":"OJBHRHOQEWVARJ-NJBJSMFESA-N","canonical_smiles":"O[C@@H]1COC[C@H]2O[C@H](CC(=O)Nc3ccc(cc3)-c3ccccc3)CC[C@@H]2N(Cc2ccc3OCOc3c2)C1","pubchem_cid":"54657602"}
{"pert_id":"BRD-K10283649","pert_iname":"BRD-K10283649","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FMEVAQARAVDUNY","inchi_key":"FMEVAQARAVDUNY-UHFFFAOYSA-N","canonical_smiles":"NCCc1ccccc1O","pubchem_cid":"74865","chembl_id":"CHEMBL367501","molregno":291700,"PubChem_ID":"74865","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K10314788","pert_iname":"meclofenoxate","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XZTYGFHCIAKPGJ","inchi_key":"XZTYGFHCIAKPGJ-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCOC(=O)COc1ccc(Cl)cc1","pubchem_cid":"4039","chembl_id":"CHEMBL64545","molregno":95805,"PubChem_ID":"4039","DrugBank_ID":"DB13758","pref_name":"MECLOFENOXATE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-K10327449","pert_iname":"SA-1457945","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NLZWENHPOORBAO","inchi_key":"NLZWENHPOORBAO-VQDLLJBESA-N","canonical_smiles":"O[C@@H]1COC[C@H]2O[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]2N(C1)C(=O)c1ccccc1F","pubchem_cid":"54657712"}
{"pert_id":"BRD-K10355322","pert_iname":"BRD-K10355322","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PMORCTNLMCISSW","inchi_key":"PMORCTNLMCISSW-UHFFFAOYSA-N","canonical_smiles":"CC(=NOC(=O)c1ccc(F)cc1)c2nccs2","pubchem_cid":"5823053","chembl_id":"CHEMBL1092376","molregno":620061,"PubChem_ID":"5823053","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K10361096","pert_iname":"BRD-K10361096","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QOYPYUGVGNSKAK","inchi_key":"QOYPYUGVGNSKAK-UHFFFAOYSA-N","canonical_smiles":"CC(=O)Nc1ccc(CNc2ncnc3ccc(cc23)c4c(C)noc4C)cc1","pubchem_cid":"17757086","chembl_id":"CHEMBL1555364","molregno":979248,"PubChem_ID":"17757086","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K10405667","pert_iname":"BRD-K10405667","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BPPUUWBBFKGZJS","inchi_key":"BPPUUWBBFKGZJS-UHFFFAOYSA-N","canonical_smiles":"CCC(=O)N1CCc2cc(ccc12)c3csc(NC(=O)c4ccco4)n3","pubchem_cid":"24761960","chembl_id":"CHEMBL1360923","molregno":784807,"PubChem_ID":"24761960","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K10421834","pert_iname":"BRD-K10421834","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QTYAKTFIIZKPHO","inchi_key":"QTYAKTFIIZKPHO-FPOVZHCZSA-N","canonical_smiles":"O=C1N[C@@H](COCc2cn(CC[C@H]1Cc1ccccc1)nn2)c1ccccc1","pubchem_cid":"54649815"}
{"pert_id":"BRD-K10436544","pert_iname":"BRD-K10436544","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-K10466330","pert_iname":"AVA","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ALXLLOQTGLPCFG","inchi_key":"ALXLLOQTGLPCFG-ATANMQQVSA-N","canonical_smiles":"CC1(C)Oc2ccc3C4=C[C@@]56NC(=O)[C@]7(CCCN7C5=O)C[C@H]6C(C)(C)C4=[N+]([O-])c3c2C=C1","pubchem_cid":"11719255","MOA":"Nucleophosmin inhibitor","chembl_id":"CHEMBL2042025","molregno":1348452,"PubChem_ID":"11719255","pref_name":"AVRAINVILLAMIDE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K11672081","pert_iname":"BRD-K11672081","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZXBXKIUDJVVQDV","inchi_key":"ZXBXKIUDJVVQDV-CZWSTMTISA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc3OCOc3c2)OCCCC[C@@H](C)Oc4ccc(NC(=O)C5CCCCC5)cc4C1=O","pubchem_cid":"54615950"}
{"pert_id":"BRD-K11672960","pert_iname":"SA-1921902","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LRWWXLKKHDRYIO","inchi_key":"LRWWXLKKHDRYIO-HPUNYJORSA-N","canonical_smiles":"COc1ccccc1NC(=O)N1CCCCN2[C@@H](CO)[C@@H]([C@@H]2C1)c1ccc(cc1)-c1cccc(C)c1","pubchem_cid":"54669118"}
{"pert_id":"BRD-K11696279","pert_iname":"BU-239","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MQSSFHXQKUSFIW","inchi_key":"MQSSFHXQKUSFIW-UHFFFAOYSA-N","canonical_smiles":"C1CN=C(N1)c1cnc2ccccc2n1","pubchem_cid":"4520732","MOA":"Imidazoline receptor agonist; Imidazoline receptor ligand","chembl_id":"CHEMBL1368511","molregno":792395,"PubChem_ID":"4520732","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11700078","pert_iname":"amiprilose","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YXBQLONCIPUQKO","inchi_key":"YXBQLONCIPUQKO-ZZIZGNMYSA-N","canonical_smiles":"CN(C)CCCO[C@H]1[C@@H](O[C@@H]2OC(C)(C)O[C@@H]12)[C@H](O)CO","pubchem_cid":"73707495"}
{"pert_id":"BRD-K11717138","pert_iname":"benzbromarone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WHQCHUCQKNIQEC","inchi_key":"WHQCHUCQKNIQEC-UHFFFAOYSA-N","canonical_smiles":"CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1","pubchem_cid":"2333","MOA":"Chloride channel blocker","chembl_id":"CHEMBL388590","molregno":374182,"PubChem_ID":"2333","DrugBank_ID":"DB12319","pref_name":"BENZBROMARONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"availability_type":-1,"usan_stem":"-arone","usan_stem_definition":"antirrhythmics","indication_class":"Uricosuric","withdrawn_flag":0,"mechanism_of_action":"Solute carrier family 22 member 12 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Benzbromarone acts by suppressing uric acid reabsorption via inhibition of the uric acid transporter 1 (URAT1) in renal tubular cells. Benzbromarone (BBR) is an inhibitor of Fatty acid-binding protein 4 (FABP4). This indicates that BBR might be a new potential therapeutic agent for type 2 diabetes. Benzbromarone is a very potent inhibitor of CYP2C9."}
{"pert_id":"BRD-K11742128","pert_iname":"triprolidine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CBEQULMOCCWAQT","inchi_key":"CBEQULMOCCWAQT-WOJGMQOQSA-N","canonical_smiles":"Cc1ccc(cc1)C(=C/CN1CCCC1)\\c1ccccn1","pubchem_cid":"5282443","MOA":"Histamine receptor antagonist","chembl_id":"CHEMBL855","molregno":65539,"PubChem_ID":"5282443","DrugBank_ID":"DB00427","pref_name":"TRIPROLIDINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1983,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"indication_class":"Antihistaminic","withdrawn_flag":0}
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{"pert_id":"BRD-K11758216","pert_iname":"RAN-03","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JXCBIDUKEIBVKZ","inchi_key":"JXCBIDUKEIBVKZ-UHFFFAOYSA-N","canonical_smiles":"Clc1nc(NCc2ccccc2)c3ccccc3n1","pubchem_cid":"1604254","chembl_id":"CHEMBL118193","molregno":195897,"PubChem_ID":"1604254","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11759662","pert_iname":"BRD-K11759662","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LCGKYSOTAAWDQI","inchi_key":"LCGKYSOTAAWDQI-IZPIQJOWSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C1=O","pubchem_cid":"44483946","chembl_id":"CHEMBL3187962","molregno":1677253,"PubChem_ID":"44483946","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11778076","pert_iname":"BRD-K11778076","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UORQCNUFZGZPMR","inchi_key":"UORQCNUFZGZPMR-UHFFFAOYSA-N","canonical_smiles":"NC(=O)C1CCN(CC1)c1nc(cs1)-c1ccc(N)cc1","pubchem_cid":"46907727","chembl_id":"CHEMBL1734690","molregno":1115421,"PubChem_ID":"46907727","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11778372","pert_iname":"BRD-K11778372","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NHGRAHAVFNGAOG","inchi_key":"NHGRAHAVFNGAOG-GTNJKRJXSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C1=O","pubchem_cid":"44202572","chembl_id":"CHEMBL1723268","molregno":1103999,"PubChem_ID":"44202572","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11795542","pert_iname":"BRD-K11795542","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PJJFGNJDCNNRAD","inchi_key":"PJJFGNJDCNNRAD-GLPSKGHJSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C1=O","pubchem_cid":"44498604","chembl_id":"CHEMBL2354474","molregno":1531663,"PubChem_ID":"44498604","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11801786","pert_iname":"trimidox","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MSLJYSGFUMYUDX","inchi_key":"MSLJYSGFUMYUDX-UHFFFAOYSA-N","canonical_smiles":"ONC(=N)c1cc(O)c(O)c(O)c1","pubchem_cid":"5464467","MOA":"Ribonucleotide reductase inhibitor"}
{"pert_id":"BRD-K11826883","pert_iname":"BRD-K11826883","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NWLXXCWQRNKJOL","inchi_key":"NWLXXCWQRNKJOL-KMWYLJRQSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3C1=O","pubchem_cid":"44618123"}
{"pert_id":"BRD-K11841836","pert_iname":"BRD-K11841836","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BZSVYEWSYITSQO","inchi_key":"BZSVYEWSYITSQO-UHFFFAOYSA-N","canonical_smiles":"Cc1nc2ccc(NC(=S)NCCCO)cc2nc1C","pubchem_cid":"2191501","chembl_id":"CHEMBL1411140","molregno":835024,"PubChem_ID":"2191501","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11852206","pert_iname":"SA-1457103","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OFDCMTXAJHTHOC","inchi_key":"OFDCMTXAJHTHOC-MFYWSIJSSA-N","canonical_smiles":"O[C@H]1COC[C@H]2O[C@H](CC(=O)N3CCc4ccccc4C3)CC[C@@H]2N(Cc2cc(F)ccc2F)C1","pubchem_cid":"54658215"}
{"pert_id":"BRD-K11853856","pert_iname":"PJ-34","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UYJZZVDLGDDTCL","inchi_key":"UYJZZVDLGDDTCL-UHFFFAOYSA-N","canonical_smiles":"CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1","pubchem_cid":"4858","MOA":"PARP inhibitor","chembl_id":"CHEMBL372303","molregno":327511,"PubChem_ID":"4858","DrugBank_ID":"DB08348","pref_name":"PJ34","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11883928","pert_iname":"BRD-K11883928","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XSAPARVONWBHKR","inchi_key":"XSAPARVONWBHKR-KYALDGGBSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)C)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O","pubchem_cid":"44492634"}
{"pert_id":"BRD-K11889659","pert_iname":"SA-441145","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HGWAOVZJNBZMAA","inchi_key":"HGWAOVZJNBZMAA-RNHFSVANSA-N","canonical_smiles":"CC(C)NC(=O)Nc1ccc2O[C@@H](CN(C)S(=O)(=O)c3ccccc3)[C@H](C)CN([C@@H](C)CO)C(=O)Cc2c1","pubchem_cid":"44616431"}
{"pert_id":"BRD-K11905747","pert_iname":"spectinomycin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UNFWWIHTNXNPBV","inchi_key":"UNFWWIHTNXNPBV-WXKVUWSESA-N","canonical_smiles":"CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O","pubchem_cid":"24747691","MOA":"Bacterial 30S ribosomal subunit inhibitor","chembl_id":"CHEMBL1443447","molregno":867331,"PubChem_ID":"24747691","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11911061","pert_iname":"GR-127935","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YDBCEBYHYKAFRX","inchi_key":"YDBCEBYHYKAFRX-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1","pubchem_cid":"107780","MOA":"Serotonin receptor antagonist","chembl_id":"CHEMBL15928","molregno":16396,"PubChem_ID":"107780","pref_name":"GR-127935","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11927976","pert_iname":"ER-27319","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CFPDEQBPNROZDC","inchi_key":"CFPDEQBPNROZDC-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc2c(c1C)n(CCCN)c1ccccc1c2=O","pubchem_cid":"9799509","MOA":"Mediator release inhibitor; SYK inhibitor","chembl_id":"CHEMBL1375018","molregno":798902,"PubChem_ID":"9799509","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11928012","pert_iname":"BRD-K11928012","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LDKMWLMZBAGXPD","inchi_key":"LDKMWLMZBAGXPD-UHFFFAOYSA-N","canonical_smiles":"COc1cccc(Nc2ccc(cc2)N3CCCCC3)c1OC","pubchem_cid":"44142168","chembl_id":"CHEMBL1568818","molregno":992702,"PubChem_ID":"44142168","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11957311","pert_iname":"BRD-K11957311","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MHRPTBSVTMBPJG","inchi_key":"MHRPTBSVTMBPJG-WWMYMODYSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)OCc3cnnn3CCCC1=O","pubchem_cid":"44505829","chembl_id":"CHEMBL1869981","molregno":1210552,"PubChem_ID":"44505829","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11977286","pert_iname":"BRD-K11977286","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YDHXSWOLXDIZHC","inchi_key":"YDHXSWOLXDIZHC-ZLMPMGTESA-N","canonical_smiles":"CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)[C@H](CN(C)C(=O)c3cc(ccc3OC[C@H]1O2)C#N)OC","pubchem_cid":"54649527"}
{"pert_id":"BRD-K11981252","pert_iname":"BRD-K11981252","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OGPDRYVIHAFSNL","inchi_key":"OGPDRYVIHAFSNL-UHFFFAOYSA-N","canonical_smiles":"OC(=O)CCC(=O)Nc1ccccc1C(=O)O","pubchem_cid":"287263"}
{"pert_id":"BRD-K11987803","pert_iname":"BRD-K11987803","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CULPOYNTOOOYIX","inchi_key":"CULPOYNTOOOYIX-QJOMJCCJSA-N","canonical_smiles":"OS(=O)(=O)CCN1C(=S)S\\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCCCC2)-c2ccccc2)C1=O","pubchem_cid":"6166563","chembl_id":"CHEMBL565371","molregno":583090,"PubChem_ID":"6166563","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K11989708","pert_iname":"SA-426029","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IEZOTXDZAGKSTL","inchi_key":"IEZOTXDZAGKSTL-FVCFNFBRSA-N","canonical_smiles":"CC(C)NC(=O)Nc1ccc2O[C@H](C)CCCCO[C@H](CN(C)C(=O)Cc3ccccc3)[C@H](C)CN([C@@H](C)CO)C(=O)c2c1","pubchem_cid":"44488194"}
{"pert_id":"BRD-K12002134","pert_iname":"megestrol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RQZAXGRLVPAYTJ","inchi_key":"RQZAXGRLVPAYTJ-CNILUYSSSA-N","canonical_smiles":"CC(=O)O[C@]1(CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)=O","pubchem_cid":"73707408","MOA":"progesterone receptor agonist; Progesterone receptor agonist"}
{"pert_id":"BRD-K12017137","pert_iname":"BRD-K12017137","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YQGAKIQJRGADCP","inchi_key":"YQGAKIQJRGADCP-HHJKRLRDSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)c2cccc(F)c2)Oc3ncc(cc3C1=O)C4=CCCCC4","pubchem_cid":"54625456"}
{"pert_id":"BRD-K12040459","pert_iname":"AT7867","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LZMOSYUFVYJEPY","inchi_key":"LZMOSYUFVYJEPY-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1","pubchem_cid":"11175137","chembl_id":"CHEMBL428462","molregno":377594,"PubChem_ID":"11175137","DrugBank_ID":"DB07859","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K12079898","pert_iname":"PD-160170","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YUVNGBZROXQYQH","inchi_key":"YUVNGBZROXQYQH-UHFFFAOYSA-N","canonical_smiles":"CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O","pubchem_cid":"9820766","MOA":"Neuropeptide receptor antagonist","chembl_id":"CHEMBL422942","molregno":80003,"PubChem_ID":"9820766","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K12092185","pert_iname":"BRD-K12092185","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KJZOGGIMPWHLRO","inchi_key":"KJZOGGIMPWHLRO-ANSQWYIGSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc3ncc(cc3C1=O)c4ccc(C#N)cc4","pubchem_cid":"54618292"}
{"pert_id":"BRD-K12102668","pert_iname":"nialamide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NOIIUHRQUVNIDD","inchi_key":"NOIIUHRQUVNIDD-UHFFFAOYSA-N","canonical_smiles":"O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1","pubchem_cid":"4472","MOA":"Monoamine oxidase inhibitor","chembl_id":"CHEMBL1256841","molregno":705834,"PubChem_ID":"4472","DrugBank_ID":"DB04820","pref_name":"NIALAMIDE","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"withdrawn_flag":1,"withdrawn_year":1974,"withdrawn_country":"United Kingdom; United States","withdrawn_reason":"Hepatotoxicity; Drug Interaction","withdrawn_class":"Hepatotoxicity","mechanism_of_action":"Monoamine oxidase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Monoamine oxidase (MAO) works by interfering with the MAO enzyme, therefore increasing the concentrations of various neurotransmitters, such as Serotonin, Epinephrine, Dopamine and Norepinephrine.","selectivity_comment":"Inhibition of rat brain mono-amine oxidase in vitro (I50): 7.8+- 0.5 uM"}
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{"pert_id":"BRD-K13800121","pert_iname":"parecoxib","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"TZRHLKRLEZJVIJ","inchi_key":"TZRHLKRLEZJVIJ-UHFFFAOYSA-N","canonical_smiles":"CCC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1","pubchem_cid":"119828","MOA":"Cyclooxygenase inhibitor","chembl_id":"CHEMBL1206690","molregno":680641,"PubChem_ID":"119828","DrugBank_ID":"DB08439","pref_name":"PARECOXIB","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1998,"availability_type":-1,"usan_stem":"-coxib","usan_stem_definition":"cyclooxygenase-2 inhibitors","withdrawn_flag":0,"mechanism_of_action":"Cyclooxygenase-2 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Parecoxib is hydrolyzed by hepatic carboxyesterases to its active form, valdecoxib. Valdecoxib selectively binds to and inhibits COX-2. This prevents the conversion of arachidonic acid into prostaglandins, which are involved in the regulation of pain, inflammation, and fever.  It does not inhibit COX-1 at therapeutic concentrations and, therefore, does not interfere with blood coagulation."}
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{"pert_id":"BRD-K14036801","pert_iname":"roxithromycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RXZBMPWDPOLZGW","inchi_key":"RXZBMPWDPOLZGW-CTYQHLPSSA-N","canonical_smiles":"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O","pubchem_cid":"73707503"}
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{"pert_id":"BRD-K14095788","pert_iname":"BRD-K14095788","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ONYAVZAYLWWDRV","inchi_key":"ONYAVZAYLWWDRV-ZZQRAECTSA-N","canonical_smiles":"C[C@H](O)C#Cc1ccc(cc1)[C@H]1[C@H](CO)N2CCCCN(C[C@H]12)C(=O)Nc1ccccc1","pubchem_cid":"54666700"}
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{"pert_id":"BRD-K14121002","pert_iname":"BRD-K14121002","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JTLHUKUBYFYIPQ","inchi_key":"JTLHUKUBYFYIPQ-GOHWNWGWSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc3ncc(cc3C1=O)c4ccc(C#N)cc4","pubchem_cid":"54631092"}
{"pert_id":"BRD-K14171663","pert_iname":"BRD-K14171663","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QHLWXFZKWJVYSD","inchi_key":"QHLWXFZKWJVYSD-UHFFFAOYSA-N","canonical_smiles":"C(N(Cc1ccccc1)Cc2ccccc2)c3nnc(s3)c4cc5ccccc5[nH]4","pubchem_cid":"44142122"}
{"pert_id":"BRD-K14177560","pert_iname":"ethynodiol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ONKUMRGIYFNPJW","inchi_key":"ONKUMRGIYFNPJW-JEJIVWPPSA-N","canonical_smiles":"CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1","pubchem_cid":"53315104"}
{"pert_id":"BRD-K14187559","pert_iname":"BRD-K14187559","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IFTYRDLVJFCQIR","inchi_key":"IFTYRDLVJFCQIR-HOZJOUCCSA-N","canonical_smiles":"CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)CC(F)(F)F)cc2OC[C@@H](C)N(C[C@H]1C)C(=O)c1ccc2OCOc2c1","pubchem_cid":"54632474"}
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{"pert_id":"BRD-K14200658","pert_iname":"syrosingopine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZCDNRPPFBQDQHR","inchi_key":"ZCDNRPPFBQDQHR-SSYATKPKSA-N","canonical_smiles":"CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC","pubchem_cid":"6769","MOA":"Vesicular monoamine transporter inhibitor","chembl_id":"CHEMBL1399124","molregno":823008,"PubChem_ID":"6769","pref_name":"SYROSINGOPINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_stem":"-pine","usan_stem_definition":"tricyclic compounds","withdrawn_flag":0}
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{"pert_id":"BRD-K14312455","pert_iname":"tazobactam","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LPQZKKCYTLCDGQ","inchi_key":"LPQZKKCYTLCDGQ-WEDXCCLWSA-N","canonical_smiles":"C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O","pubchem_cid":"123630","chembl_id":"CHEMBL404","molregno":207,"PubChem_ID":"123630","DrugBank_ID":"DB01606","pref_name":"TAZOBACTAM","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1993,"oral":0,"parenteral":1,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1989,"availability_type":1,"usan_stem":"-bactam","usan_stem_definition":"beta-lactamase inhibitors","indication_class":"Inhibitor (beta-lactamase)","withdrawn_flag":0}
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{"pert_id":"BRD-K17219111","pert_iname":"enevalproate","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZKNJEOBYOLUGKJ","inchi_key":"ZKNJEOBYOLUGKJ-FNORWQNLSA-N","canonical_smiles":"CCC\\C(=C/CC)C(O)=O","pubchem_cid":"6437068","chembl_id":"CHEMBL117487","molregno":188752,"PubChem_ID":"6437068","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17294426","pert_iname":"clebopride","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BVPWJMCABCPUQY","inchi_key":"BVPWJMCABCPUQY-UHFFFAOYSA-N","canonical_smiles":"COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1","pubchem_cid":"2780","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL325109","molregno":182814,"PubChem_ID":"2780","DrugBank_ID":"DB13511","pref_name":"CLEBOPRIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1987,"availability_type":-1,"usan_stem":"-pride","usan_stem_definition":"sulpride derivatives","indication_class":"Anti-Emetic","withdrawn_flag":0,"mechanism_of_action":"Dopamine D2 receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Clebopride, a D-2 dopamine antagonist with antiemetic and prokinetic properties, can improve the bowel cleansing efficacy. Clebopride also stimulates peripheral 5-HT4 receptors and shortens intestinal transit time.","selectivity_comment":"A receptor binding assay revealed that clebopride bound to the D2 dopamine receptor with a high affinity and to the alpha-2 adrenoceptor and 5-HT2 serotonin receptor with relatively lower affinity, and not to D1 dopamine, alpha-1 adrenergic, muscarinic acetylcholine, H1 histamine, or opioid receptor."}
{"pert_id":"BRD-K17306061","pert_iname":"aprepitant","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NLYKDVVWGQZEED","inchi_key":"NLYKDVVWGQZEED-BYYRLHKVSA-N","canonical_smiles":"C[C@@H](O[C@@H]1OCCN(Cc2nc(=O)[nH][nH]2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F","pubchem_cid":"151165","MOA":"Tachykinin antagonist"}
{"pert_id":"BRD-K17343332","pert_iname":"EMF-sumo1-4","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GDLYESHVJHYNEC","inchi_key":"GDLYESHVJHYNEC-UHFFFAOYSA-N","canonical_smiles":"Oc1c(Br)cc(Br)cc1C=NN2CCN(Cc3ccccc3)CC2","pubchem_cid":"5535958"}
{"pert_id":"BRD-K17349619","pert_iname":"HLI-373","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LNRUPMPQQGPSQT","inchi_key":"LNRUPMPQQGPSQT-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCCNc1c2ccccc2n(C)c2nc(=O)n(C)c(=O)c12","pubchem_cid":"435678","MOA":"MDM inhibitor"}
{"pert_id":"BRD-K17378184","pert_iname":"BP-897","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MNHDKMDLOJSCGN","inchi_key":"MNHDKMDLOJSCGN-UHFFFAOYSA-N","canonical_smiles":"COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1","pubchem_cid":"3038495","chembl_id":"CHEMBL25236","molregno":33870,"PubChem_ID":"3038495","pref_name":"BP-897","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17415526","pert_iname":"tyrphostin-AG-835","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UMGQVUWXNOJOSJ","inchi_key":"UMGQVUWXNOJOSJ-DGGAMASNSA-N","canonical_smiles":"C[C@H](NC(=O)C(=C\\c1ccc(O)c(O)c1)\\C#N)c1ccccc1","pubchem_cid":"5328769","MOA":"Protein tyrosine kinase inhibitor","chembl_id":"CHEMBL261557","molregno":431246,"PubChem_ID":"5328769","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17449871","pert_iname":"BRD-K17449871","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FMBOJVUHFHEXGF","inchi_key":"FMBOJVUHFHEXGF-CBUCOWSNSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)OCCCC[C@H](C)Oc3ccc(NC(=O)Cc4ccccc4)cc3C1=O","pubchem_cid":"44498208"}
{"pert_id":"BRD-K17476933","pert_iname":"ITSA-1","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UVNLAUGZMOPBPR","inchi_key":"UVNLAUGZMOPBPR-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc(C(=O)n2nnc3ccccc23)c(Cl)c1","pubchem_cid":"771910","chembl_id":"CHEMBL1394350","molregno":818234,"PubChem_ID":"771910","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17489199","pert_iname":"BRD-K17489199","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BAVJOCCOTRWQAG","inchi_key":"BAVJOCCOTRWQAG-ZYLNGJIFSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCCCC2)Oc3cc(ccc3S1(=O)=O)C4=CCCC4","pubchem_cid":"46903526","chembl_id":"CHEMBL1904990","molregno":1245561,"PubChem_ID":"46903526","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17497770","pert_iname":"butein","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"AYMYWHCQALZEGT","inchi_key":"AYMYWHCQALZEGT-ORCRQEGFSA-N","canonical_smiles":"Oc1ccc(C(=O)\\C=C\\c2ccc(O)c(O)c2)c(O)c1","pubchem_cid":"5281222","MOA":"EGFR inhibitor; SRC inhibitor","chembl_id":"CHEMBL128000","molregno":210267,"PubChem_ID":"5281222","pref_name":"BUTEIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17530818","pert_iname":"BRD-K17530818","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JGSPVHKLUFJULS","inchi_key":"JGSPVHKLUFJULS-ZFCOSYPZSA-N","canonical_smiles":"CCc1csc(n1)N1[C@H](CO)[C@@H]([C@@H]1CNC(C)C)c1ccc(cc1)\\C=C\\C","pubchem_cid":"54651172"}
{"pert_id":"BRD-K17554130","pert_iname":"BRD-K17554130","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SKMIIEGWSYGYOW","inchi_key":"SKMIIEGWSYGYOW-CEWLAPEOSA-N","canonical_smiles":"COc1ccc(cc1)S(=O)(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCc2ccncc2)O[C@@H]1CO","pubchem_cid":"54638222"}
{"pert_id":"BRD-K17561142","pert_iname":"amiodarone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IYIKLHRQXLHMJQ","inchi_key":"IYIKLHRQXLHMJQ-UHFFFAOYSA-N","canonical_smiles":"CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1","pubchem_cid":"2157","MOA":"Potassium channel blocker","chembl_id":"CHEMBL633","molregno":27185,"PubChem_ID":"2157","DrugBank_ID":"DB01118","pref_name":"AMIODARONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1985,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1987,"availability_type":1,"usan_stem":"-arone","usan_stem_definition":"antirrhythmics: indicates high iodine content","withdrawn_flag":0}
{"pert_id":"BRD-K17627540","pert_iname":"BRD-K17627540","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KHGWYQNTVNQZQS","inchi_key":"KHGWYQNTVNQZQS-IPVFLDMMSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc3ncc(cc3C1=O)C4=CCCCC4","pubchem_cid":"54629198","chembl_id":"CHEMBL3185450","molregno":1674741,"PubChem_ID":"54629198","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17628612","pert_iname":"BRD-K17628612","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UKDYWCMFIIYJNB","inchi_key":"UKDYWCMFIIYJNB-YBFXNURJSA-N","canonical_smiles":"Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2C)o1","pubchem_cid":"3913840","chembl_id":"CHEMBL1895127","molregno":1235698,"PubChem_ID":"3913840","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17693482","pert_iname":"BRD-K17693482","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JQICNNKLTFYSLS","inchi_key":"JQICNNKLTFYSLS-UHFFFAOYSA-N","canonical_smiles":"CC(=O)OCCNC(=O)c1cccnc1","pubchem_cid":"134230","chembl_id":"CHEMBL1358019","molregno":781903,"PubChem_ID":"134230","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17698750","pert_iname":"BRD-K17698750","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QNMRQELCDYNENZ","inchi_key":"QNMRQELCDYNENZ-RFACUBCZSA-N","canonical_smiles":"CNC[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N(C[C@@H]1C)[C@@H](C)CO","pubchem_cid":"54614707"}
{"pert_id":"BRD-K17705111","pert_iname":"BRD-K17705111","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NXVHKURFMFTURR","inchi_key":"NXVHKURFMFTURR-AXHZCLLHSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc3cc(ccc3S1(=O)=O)C4=CCCCC4","pubchem_cid":"54620984"}
{"pert_id":"BRD-K17705806","pert_iname":"JTC-801","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VTGBZWHPJFMTKS","inchi_key":"VTGBZWHPJFMTKS-UHFFFAOYSA-N","canonical_smiles":"CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1","pubchem_cid":"5311340","MOA":"Opioid receptor antagonist","chembl_id":"CHEMBL140979","molregno":236661,"PubChem_ID":"5311340","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17712828","pert_iname":"BRD-K17712828","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BSIGSQJJGCVKJX","inchi_key":"BSIGSQJJGCVKJX-DHIUTWEWSA-N","canonical_smiles":"OC[C@@H]1[C@@H](c2ccccc2)C2(CN(C2)S(=O)(=O)c2ccccc2)N1CC1CCCC1","pubchem_cid":"60190063"}
{"pert_id":"BRD-K17712926","pert_iname":"BRD-K17712926","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HHORGFBYQNPTJA","inchi_key":"HHORGFBYQNPTJA-AJWNWGNMSA-N","canonical_smiles":"OC[C@@H]1O[C@H](CC(=O)NCCc2ccccc2)C[C@@H]3[C@H]1Oc4ccc(NC(=O)Nc5ccc(cc5)C(F)(F)F)cc34","pubchem_cid":"54647107","chembl_id":"CHEMBL2358401","molregno":1535590,"PubChem_ID":"54647107","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17730221","pert_iname":"SA-101776","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JGBMYHHCYDJRFV","inchi_key":"JGBMYHHCYDJRFV-ZJXZHUIYSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCCCC2)OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C1=O","pubchem_cid":"44503122"}
{"pert_id":"BRD-K17739445","pert_iname":"BRD-K17739445","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HLLDSINCGQRMCD","inchi_key":"HLLDSINCGQRMCD-UHFFFAOYSA-N","canonical_smiles":"Brc1ccc(cc1)-c1csc(n1)N1CCC(CC1)C(=O)NCc1ccccc1","pubchem_cid":"53338823"}
{"pert_id":"BRD-K17743125","pert_iname":"belinostat","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NCNRHFGMJRPRSK","inchi_key":"NCNRHFGMJRPRSK-MDZDMXLPSA-N","canonical_smiles":"ONC(=O)\\C=C\\c1cccc(c1)S(=O)(=O)Nc1ccccc1","pubchem_cid":"6918638","MOA":"HDAC inhibitor","chembl_id":"CHEMBL408513","molregno":435188,"PubChem_ID":"6918638","DrugBank_ID":"DB05015","pref_name":"BELINOSTAT","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2014,"oral":0,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2006,"availability_type":1,"usan_stem":"-stat","usan_stem_definition":"enzyme inhibitors: inhibitors of histone deacetylase","withdrawn_flag":0,"mechanism_of_action":"Histone deacetylase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K17743697","pert_iname":"KB-R7943","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UMJUNUMSJDTYTM","inchi_key":"UMJUNUMSJDTYTM-UHFFFAOYSA-N","canonical_smiles":"NC(=N)SCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1","pubchem_cid":"4534086","MOA":"Sodium/calcium exchange inhibitor","chembl_id":"CHEMBL1433489","molregno":857373,"PubChem_ID":"4534086","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17754811","pert_iname":"BRD-K17754811","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QACOGNLQPASLTK","inchi_key":"QACOGNLQPASLTK-UHFFFAOYSA-N","canonical_smiles":"FC(F)(F)C(=O)Nc1sc2CNCCc2c1-c1nc2ccccc2s1","pubchem_cid":"53338845"}
{"pert_id":"BRD-K17773477","pert_iname":"BRD-K17773477","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RUOZLMFIBHXSJW","inchi_key":"RUOZLMFIBHXSJW-GTNJKRJXSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(cc2)C(F)(F)F)Oc3ccc(NC(=O)Nc4ccccc4)cc3C1=O","pubchem_cid":"44487821","chembl_id":"CHEMBL3183439","molregno":1672730,"PubChem_ID":"44487821","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17796732","pert_iname":"JWH-015","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LJSBBBWQTLXQEN","inchi_key":"LJSBBBWQTLXQEN-UHFFFAOYSA-N","canonical_smiles":"CCCn1c(C)c(C(=O)c2cccc3ccccc23)c4ccccc14","pubchem_cid":"4273754","MOA":"Cannabinoid receptor agonist","chembl_id":"CHEMBL306764","molregno":119368,"PubChem_ID":"4273754","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17808354","pert_iname":"BRD-K17808354","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MYPHLQNYTHZFLP","inchi_key":"MYPHLQNYTHZFLP-AOIWGVFYSA-N","canonical_smiles":"OC[C@H]1[C@H]([C@H]2CNCC(=O)N12)c1ccc(cc1)C1=CCCCC1","pubchem_cid":"60189084"}
{"pert_id":"BRD-K17817744","pert_iname":"BRD-K17817744","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DGSOXKKLHVIDDH","inchi_key":"DGSOXKKLHVIDDH-XHOYROJHSA-N","canonical_smiles":"CNC[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)NC(C)C)cc2C(=O)N(C[C@@H]1C)[C@@H](C)CO","pubchem_cid":"44493105"}
{"pert_id":"BRD-K17820047","pert_iname":"BML-210","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RFLHBLWLFUFFDZ","inchi_key":"RFLHBLWLFUFFDZ-UHFFFAOYSA-N","canonical_smiles":"Nc1ccccc1NC(=O)CCCCCCC(=O)Nc2ccccc2","pubchem_cid":"9543540","chembl_id":"CHEMBL324053","molregno":184679,"PubChem_ID":"9543540","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17823458","pert_iname":"danoprevir","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NLLUOMDMSMVXKN","inchi_key":"NLLUOMDMSMVXKN-UIOHFMAFSA-N","canonical_smiles":"CC(C)(C)OC(=O)N[C@H]1CCCCC\\C=C/[C@@H]2C[C@@]2(CNS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@H](CN2C1=O)OC(=O)N1Cc2cccc(F)c2C1","pubchem_cid":"46931004","MOA":"HCV inhibitor","chembl_id":"CHEMBL1673210","molregno":1071101,"PubChem_ID":"46931004","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K17830172","pert_iname":"BRD-K17830172","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UKQWTRJZFLXIQL","inchi_key":"UKQWTRJZFLXIQL-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(o2)[N+](=O)[O-])cc1C","pubchem_cid":"6875690","chembl_id":"CHEMBL1552445","molregno":976329,"PubChem_ID":"6875690","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K27062708","pert_iname":"chlorotrianisene","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BFPSDSIWYFKGBC","inchi_key":"BFPSDSIWYFKGBC-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1)C(Cl)=C(c1ccc(OC)cc1)c1ccc(OC)cc1","pubchem_cid":"11289","chembl_id":"CHEMBL1200761","molregno":674712,"PubChem_ID":"11289","DrugBank_ID":"DB00269","pref_name":"CHLOROTRIANISENE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1982,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":0,"indication_class":"Estrogen","withdrawn_flag":0,"mechanism_of_action":"Estrogen receptor beta modulator","action_type":"MODULATOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Mixed agonist/antagonist"}
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{"pert_id":"BRD-K27184429","pert_iname":"levocetirizine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZKLPARSLTMPFCP","inchi_key":"ZKLPARSLTMPFCP-OAQYLSRUSA-N","canonical_smiles":"OC(=O)COCCN1CCN(CC1)[C@H](c1ccccc1)c1ccc(Cl)cc1","pubchem_cid":"1549000","MOA":"Histamine receptor antagonist"}
{"pert_id":"BRD-K27217864","pert_iname":"butamben","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IUWVALYLNVXWKX","inchi_key":"IUWVALYLNVXWKX-UHFFFAOYSA-N","canonical_smiles":"CCCCOC(=O)c1ccc(N)cc1","pubchem_cid":"2482","chembl_id":"CHEMBL127516","molregno":209964,"PubChem_ID":"2482","DrugBank_ID":"DB11148","pref_name":"BUTAMBEN","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1975,"availability_type":-2,"indication_class":"Anesthetic (topical)","withdrawn_flag":1,"withdrawn_year":1964,"withdrawn_country":"United States","withdrawn_reason":"Dermatologic Toxicity; Psychiatric Reaction","withdrawn_class":"Dermatological toxicity; Psychiatric toxicity","mechanism_of_action":"Transient receptor potential cation channel subfamily A member 1 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Butamben is a pain-relieving local anesthetic. It inhibits voltage-gated channels in the sensory neurons (T-type calcium channels, Cav1.2/L-type channels, Kv4 channels). It also inhibits Transient Receptor Potential A1 (TRPA1) and Transient Receptor Potential V4 (TRPV4)."}
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{"pert_id":"BRD-K27450477","pert_iname":"EHNA","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IOSAAWHGJUZBOG","inchi_key":"IOSAAWHGJUZBOG-MNOVXSKESA-N","canonical_smiles":"CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12","pubchem_cid":"359137","MOA":"Adenosine deaminase inhibitor"}
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{"pert_id":"BRD-K28494619","pert_iname":"sulfamethoxazole","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JLKIGFTWXXRPMT","inchi_key":"JLKIGFTWXXRPMT-UHFFFAOYSA-N","canonical_smiles":"Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1","pubchem_cid":"5329","chembl_id":"CHEMBL443","molregno":2247,"PubChem_ID":"5329","DrugBank_ID":"DB01015","pref_name":"SULFAMETHOXAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1973,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1962,"availability_type":1,"usan_stem":"sulfa-","usan_stem_definition":"antimicrobials (sulfonamides derivatives)","indication_class":"Antibacterial","withdrawn_flag":0,"mechanism_of_action":"Bacterial dihydropteroate synthase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"selectivity_comment":"Broad spectrum"}
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{"pert_id":"BRD-K36638198","pert_iname":"felamidin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VIPXLQMQEIDXMH","inchi_key":"VIPXLQMQEIDXMH-SFHVURJKSA-N","canonical_smiles":"CC(C)(OC(=O)c1ccccc1)[C@@H]2Cc3cc4ccc(=O)oc4cc3O2","pubchem_cid":"1042895","chembl_id":"CHEMBL3039023","molregno":1591842,"PubChem_ID":"1042895","pref_name":"FELAMIDIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K36638830","pert_iname":"anabasine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MTXSIJUGVMTTMU","inchi_key":"MTXSIJUGVMTTMU-SNVBAGLBSA-N","canonical_smiles":"C1CC[C@@H](NC1)c2cccnc2","pubchem_cid":"2181","MOA":"Acetylcholine receptor agonist","chembl_id":"CHEMBL280963","molregno":27846,"PubChem_ID":"2181","pref_name":"DL-ANABASINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K36651625","pert_iname":"BRD-K36651625","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YERHJBPPDGHCRJ","inchi_key":"YERHJBPPDGHCRJ-UHFFFAOYSA-N","canonical_smiles":"C=CC(=O)N1CCN(CC1)C(=O)C=C","pubchem_cid":"193422"}
{"pert_id":"BRD-K36660044","pert_iname":"bufexamac","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MXJWRABVEGLYDG","inchi_key":"MXJWRABVEGLYDG-UHFFFAOYSA-N","canonical_smiles":"CCCCOc1ccc(CC(=O)NO)cc1","pubchem_cid":"2466","chembl_id":"CHEMBL94394","molregno":153408,"PubChem_ID":"2466","DrugBank_ID":"DB13346","pref_name":"BUFEXAMAC","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-1,"usan_stem":"-ac","usan_stem_definition":"anti-inflammatory agents (acetic acid derivatives)","withdrawn_flag":0,"mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"The exact mechanism of the anti-inflammatory role of bufexamac is still unclear. In-vitro, Bufexamac was shown to act as an inhibitor of prostaglandin synthesis and a stabiliser of rat liver lysosomes. Which of these properties is of importance in-vivo is not clarified. Bufexamac induces tubulin hyperacetylation in drug concentrations matching its antiinflammatory effect. Therefore, inhibition of histone deacetylase 6 (HDAC6) may contribute to the clinical efficacy of bufexamac. Bufexamac is a selective inhibitor of leukotriene A4 hydrolase (LTA4H), a crucial enzyme in the leukotriene B4 (LTB4) biosynthesis pathway."}
{"pert_id":"BRD-K36665199","pert_iname":"BRD-K36665199","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NEHMBGOWUSGTLI","inchi_key":"NEHMBGOWUSGTLI-HNNXBMFYSA-N","canonical_smiles":"Fc1ccc(c(F)c1)-n1ncc2[C@H](CCCc12)NC(=O)c1ccccn1","pubchem_cid":"42288155"}
{"pert_id":"BRD-K36737713","pert_iname":"AG-957","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QSFREBZMBNRGOK","inchi_key":"QSFREBZMBNRGOK-UHFFFAOYSA-N","canonical_smiles":"COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1","pubchem_cid":"2064","MOA":"Protein tyrosine kinase inhibitor","chembl_id":"CHEMBL1721939","molregno":1102670,"PubChem_ID":"2064","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K36740062","pert_iname":"GSK-1070916","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QTBWCSQGBMPECM","inchi_key":"QTBWCSQGBMPECM-UHFFFAOYSA-N","canonical_smiles":"CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1","pubchem_cid":"46885626","MOA":"Aurora kinase inhibitor","chembl_id":"CHEMBL1090479","molregno":622556,"PubChem_ID":"46885626","pref_name":"GSK-1070916","max_phase":1,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0,"mechanism_of_action":"Serine/threonine-protein kinase Aurora-B inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K36754064","pert_iname":"BRD-K36754064","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VBIHEYQLZSGFAG","inchi_key":"VBIHEYQLZSGFAG-HIRWGAFWSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3CC1=O","pubchem_cid":"44500828"}
{"pert_id":"BRD-K36756879","pert_iname":"ethaverine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZOWYFYXTIWQBEP","inchi_key":"ZOWYFYXTIWQBEP-UHFFFAOYSA-N","canonical_smiles":"CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC","pubchem_cid":"3280","chembl_id":"CHEMBL1555736","molregno":979620,"PubChem_ID":"3280","pref_name":"ETHAVERINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-verine","usan_stem_definition":"spasmolytic agents (papaverine type)","withdrawn_flag":0}
{"pert_id":"BRD-K36767861","pert_iname":"BRD-K36767861","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SZINXIIPKDLEBK","inchi_key":"SZINXIIPKDLEBK-YRNRMSPPSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc3c(NC(=O)C4CC4)cccc3C1=O","pubchem_cid":"44499704"}
{"pert_id":"BRD-K36772364","pert_iname":"BRD-K36772364","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RQGNWRSISVFFMW","inchi_key":"RQGNWRSISVFFMW-UHFFFAOYSA-N","canonical_smiles":"O=C(CSc1cccc2cccnc12)N3CCCC3","pubchem_cid":"975656","chembl_id":"CHEMBL1412548","molregno":836432,"PubChem_ID":"975656","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K36796217","pert_iname":"BRD-K36796217","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PZXWXIAUASIELU","inchi_key":"PZXWXIAUASIELU-FBBABVLZSA-N","canonical_smiles":"COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)N2C)O1","pubchem_cid":"54654353"}
{"pert_id":"BRD-K36817836","pert_iname":"BRD-K36817836","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VXICEDNIXASOFW","inchi_key":"VXICEDNIXASOFW-UHFFFAOYSA-N","canonical_smiles":"CCc1nc(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c(C#N)cc1C","pubchem_cid":"1086218","chembl_id":"CHEMBL2143234","molregno":1415185,"PubChem_ID":"1086218","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K36826784","pert_iname":"SA-1922257","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WYTFSBUXHVGTCT","inchi_key":"WYTFSBUXHVGTCT-YIKNKFAXSA-N","canonical_smiles":"COc1ccccc1NC(=O)N1CCCCN2[C@H](CO)[C@@H]([C@@H]2C1)c1ccc(cc1)-c1cccc(c1)C#N","pubchem_cid":"54666566","chembl_id":"CHEMBL3188928","molregno":1678219,"PubChem_ID":"54666566","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K36862742","pert_iname":"hydroflumethiazide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"DMDGGSIALPNSEE","inchi_key":"DMDGGSIALPNSEE-UHFFFAOYSA-N","canonical_smiles":"NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F","pubchem_cid":"3647","MOA":"Sodium/potassium/chloride transporter inhibitor","chembl_id":"CHEMBL1763","molregno":583522,"PubChem_ID":"3647","DrugBank_ID":"DB00774","pref_name":"HYDROFLUMETHIAZIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1959,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"usan_stem":"-thiazide","usan_stem_definition":"diuretics (thiazide derivatives)","indication_class":"Antihypertensive; Diuretic","withdrawn_flag":0,"mechanism_of_action":"Thiazide-sensitive sodium-chloride cotransporter inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K36864553","pert_iname":"BRD-K36864553","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UVSCGJDGVAXROK","inchi_key":"UVSCGJDGVAXROK-ITEXHPTBSA-N","canonical_smiles":"COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N(C[C@@H]2C)[C@H](C)CO)cc1","pubchem_cid":"44502476"}
{"pert_id":"BRD-K36864847","pert_iname":"BD-1047","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MGVRNMUKTZOQOW","inchi_key":"MGVRNMUKTZOQOW-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCN(C)CCc1ccc(Cl)c(Cl)c1","pubchem_cid":"188914","MOA":"Adrenergic receptor antagonist","chembl_id":"CHEMBL143360","molregno":236678,"PubChem_ID":"188914","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K36895979","pert_iname":"BRD-K36895979","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PEHWLDDZWQGNOT","inchi_key":"PEHWLDDZWQGNOT-VKIDHGPPSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3C1=O","pubchem_cid":"44483523","chembl_id":"CHEMBL2143694","molregno":1415645,"PubChem_ID":"44483523","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K36909552","pert_iname":"BRD-K36909552","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RJZMBPWJQGQEHM","inchi_key":"RJZMBPWJQGQEHM-ZNZIZOMTSA-N","canonical_smiles":"OC[C@H]1[C@H]([C@H]2CN(CC3CCOCC3)CCCCN12)c1ccc(cc1)-c1cccnc1","pubchem_cid":"54669312"}
{"pert_id":"BRD-K36910796","pert_iname":"BRD-K36910796","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RSKGZFLSRBPJST","inchi_key":"RSKGZFLSRBPJST-RZDWVWPCSA-N","canonical_smiles":"CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C(=O)N(C[C@@H]1C)[C@H](C)CO","pubchem_cid":"44503610"}
{"pert_id":"BRD-K36927236","pert_iname":"glibenclamide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZNNLBTZKUZBEKO","inchi_key":"ZNNLBTZKUZBEKO-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3","pubchem_cid":"3488","MOA":"Sulfonylurea","chembl_id":"CHEMBL472","molregno":5582,"PubChem_ID":"3488","DrugBank_ID":"DB01016","pref_name":"GLYBURIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1984,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1969,"availability_type":1,"indication_class":"Antidiabetic","withdrawn_flag":0,"mechanism_of_action":"Sulfonylurea receptor 1, Kir6.2 blocker","action_type":"BLOCKER","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K36928794","pert_iname":"BRD-K36928794","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KLCJYDRSSANISD","inchi_key":"KLCJYDRSSANISD-MMVPYHRJSA-N","canonical_smiles":"COc1ccc(cc1)-c1cccc(c1)-c1nc(cc2CN([C@H](CCO)c12)[S@](=O)C(C)(C)C)C(=O)NCC(F)(F)F","pubchem_cid":"54649385"}
{"pert_id":"BRD-K36959991","pert_iname":"SA-418993","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JFBDPIUUNLHCPK","inchi_key":"JFBDPIUUNLHCPK-TXTKFYIRSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2cccc(C)c2)OCc3cnnn3CCCC1=O","pubchem_cid":"44498557"}
{"pert_id":"BRD-K36965586","pert_iname":"m-chlorophenylbiguanide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"DIHXJZHAIHGSAW","inchi_key":"DIHXJZHAIHGSAW-UHFFFAOYSA-N","canonical_smiles":"NC(=N)NC(=N)Nc1cccc(Cl)c1","pubchem_cid":"2730228","MOA":"Serotonin receptor agonist"}
{"pert_id":"BRD-K36977165","pert_iname":"RAN-14A","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KSDABWGBZQUTRR","inchi_key":"KSDABWGBZQUTRR-UHFFFAOYSA-N","canonical_smiles":"O=c1[nH]c(nc2ccccc12)N3CCCC3","pubchem_cid":"821257"}
{"pert_id":"BRD-K36984542","pert_iname":"BRD-K36984542","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FXGRRILVHJOMQO","inchi_key":"FXGRRILVHJOMQO-DEOSSOPVSA-N","canonical_smiles":"COc1ccc2c3c([C@H](CO)N(CC4CC4)C[C@]33CN(Cc4ccc(F)cc4)C3)n(C)c2c1","pubchem_cid":"60185121"}
{"pert_id":"BRD-K37021324","pert_iname":"BRD-K37021324","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MPONWEUCRQKQQM","inchi_key":"MPONWEUCRQKQQM-UHFFFAOYSA-N","canonical_smiles":"OCCNc1nc(Nc2cc(Cl)ccc2OC3CCCC3)nc(n1)N4CCCC4","pubchem_cid":"24747241","chembl_id":"CHEMBL1713976","molregno":1094707,"PubChem_ID":"24747241","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K37043259","pert_iname":"BRD-K37043259","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QVMJLFZOFFUGMH","inchi_key":"QVMJLFZOFFUGMH-MWXNICTNSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)Oc4ccc(cc4C1=O)N(C)C","pubchem_cid":"44506240","chembl_id":"CHEMBL2136858","molregno":1408809,"PubChem_ID":"44506240","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K37057377","pert_iname":"KU-C104545N","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GESGZCWZXRTSCL","inchi_key":"GESGZCWZXRTSCL-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1","pubchem_cid":"44828476","chembl_id":"CHEMBL1727825","molregno":1108556,"PubChem_ID":"44828476","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K37060179","pert_iname":"BRD-K37060179","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZUHKGHKDCFDVCR","inchi_key":"ZUHKGHKDCFDVCR-ZTQIFVIOSA-N","canonical_smiles":"OC[C@H]1O[C@H](CC(=O)NCc2cc(F)ccc2F)C[C@@H]3[C@H]1Oc4ccc(NC(=O)Nc5ccc(cc5)C(F)(F)F)cc34","pubchem_cid":"54646296"}
{"pert_id":"BRD-K37061750","pert_iname":"BRD-K37061750","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QKXYXSPMMQZDDM","inchi_key":"QKXYXSPMMQZDDM-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1NC(=O)c2ccc(cc2)n3nc(C)cc3C)S(=O)(=O)N4CCOCC4","pubchem_cid":"3538139","chembl_id":"CHEMBL1367646","molregno":791530,"PubChem_ID":"3538139","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K37066706","pert_iname":"SA-424170","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WVXDBMICDQPVNB","inchi_key":"WVXDBMICDQPVNB-HJBDBDOVSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccccc2)OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc5OCOc5c4)cc3C1=O","pubchem_cid":"44618378"}
{"pert_id":"BRD-K37073485","pert_iname":"BRD-K37073485","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ISSFQUZIRZXYME","inchi_key":"ISSFQUZIRZXYME-XLCATFGMSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3OCOc3c2)Oc4ccc(NC(=O)CCCCCC(=O)Nc5ccccc5N)cc4CC1=O","pubchem_cid":"44497398"}
{"pert_id":"BRD-K37080523","pert_iname":"isoreserpine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QEVHRUUCFGRFIF","inchi_key":"QEVHRUUCFGRFIF-VPHNHGCZSA-N","canonical_smiles":"CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6","pubchem_cid":"5701996","MOA":"Vesicular monoamine transporter inhibitor","chembl_id":"CHEMBL388848","molregno":373892,"PubChem_ID":"5701996","pref_name":"ISORESERPINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K37606513","pert_iname":"isonicotinamide","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VFQXVTODMYMSMJ","inchi_key":"VFQXVTODMYMSMJ-UHFFFAOYSA-N","canonical_smiles":"NC(=O)c1ccncc1","pubchem_cid":"15074","chembl_id":"CHEMBL271717","molregno":435808,"PubChem_ID":"15074","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K37618507","pert_iname":"BRD-K37618507","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AKXQIFDVEVWSHU","inchi_key":"AKXQIFDVEVWSHU-OJLQRUNKSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc3c(NC(=O)Nc4c(C)noc4C)cccc3C1=O","pubchem_cid":"44496991"}
{"pert_id":"BRD-K37618799","pert_iname":"MRS-1220","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"TWWFAXQOKNBUCR","inchi_key":"TWWFAXQOKNBUCR-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1","pubchem_cid":"393595","MOA":"Adenosine receptor antagonist","chembl_id":"CHEMBL88147","molregno":142294,"PubChem_ID":"393595","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K37650321","pert_iname":"BRD-K37650321","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FDAMVFKBRUGOGM","inchi_key":"FDAMVFKBRUGOGM-OAHLLOKOSA-N","canonical_smiles":"COCC(=O)N1C[C@@]2(C1)CN([C@H](CO)c1[nH]c3cc(OC)ccc3c21)S(C)(=O)=O","pubchem_cid":"60189866"}
{"pert_id":"BRD-K37669227","pert_iname":"BRD-K37669227","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PLFJTCJSGHSPAZ","inchi_key":"PLFJTCJSGHSPAZ-RZDWVWPCSA-N","canonical_smiles":"CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N(C[C@@H]1C)[C@H](C)CO","pubchem_cid":"44502466","chembl_id":"CHEMBL2357210","molregno":1534399,"PubChem_ID":"44502466","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K37682401","pert_iname":"piromidic-acid","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RCIMBBZXSXFZBV","inchi_key":"RCIMBBZXSXFZBV-UHFFFAOYSA-N","canonical_smiles":"CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCCC1","pubchem_cid":"4855","chembl_id":"CHEMBL311350","molregno":119300,"PubChem_ID":"4855","DrugBank_ID":"DB13744","pref_name":"PIROMIDIC ACID","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-K37687095","pert_iname":"AZD-8330","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RWEVIPRMPFNTLO","inchi_key":"RWEVIPRMPFNTLO-UHFFFAOYSA-N","canonical_smiles":"Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O","pubchem_cid":"16666708","chembl_id":"CHEMBL3182621","molregno":1671912,"PubChem_ID":"16666708","DrugBank_ID":"DB06061","pref_name":"AZD-8330","max_phase":1,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0,"mechanism_of_action":"Dual specificity mitogen-activated protein kinase kinase 1 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K37688416","pert_iname":"fipexide","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BFUJHVVEMMWLHC","inchi_key":"BFUJHVVEMMWLHC-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1","pubchem_cid":"3351","chembl_id":"CHEMBL254857","molregno":418438,"PubChem_ID":"3351","DrugBank_ID":"DB13790","pref_name":"FIPEXIDE","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"withdrawn_flag":1,"withdrawn_year":1991,"withdrawn_country":"France","withdrawn_reason":"Hepatotoxicity","withdrawn_class":"Hepatotoxicity","mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"It is a mild dopamine (DA) receptor agonist, probably not directly affecting hypothalamic and/or pituitary DA receptors but indirectly via a reduced DA re-uptake at the pre-synaptic level. Fipexide may facilitate dopamine neurotransmission by inhibition of an enkephalinergic inhibitory feed-back circuit."}
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{"pert_id":"BRD-K37720887","pert_iname":"SB-525334","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"DKPQHFZUICCZHF","inchi_key":"DKPQHFZUICCZHF-UHFFFAOYSA-N","canonical_smiles":"Cc1cccc(n1)-c1[nH]c(nc1-c1ccc2nccnc2c1)C(C)(C)C","pubchem_cid":"9967941","MOA":"TGF beta receptor inhibitor","chembl_id":"CHEMBL401570","molregno":435646,"PubChem_ID":"9967941","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K37727696","pert_iname":"BRD-K37727696","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LQNXNSNLYCZSOL","inchi_key":"LQNXNSNLYCZSOL-UHFFFAOYSA-N","canonical_smiles":"COC(=O)CSc1nc2ccccc2[nH]1","pubchem_cid":"302929"}
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{"pert_id":"BRD-K37743233","pert_iname":"BRD-K37743233","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KBDYTXJNXXZTGD","inchi_key":"KBDYTXJNXXZTGD-PNRGXICFSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc4cc(ccc4S1(=O)=O)c5ccncc5","pubchem_cid":"54627209"}
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{"pert_id":"BRD-K37792168","pert_iname":"denbufylline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HJPRDDKCXVCFOH","inchi_key":"HJPRDDKCXVCFOH-UHFFFAOYSA-N","canonical_smiles":"CCCCn1c(=O)n(CCCC)c2ncn(CC(=O)C)c2c1=O","pubchem_cid":"2984","MOA":"Phosphodiesterase inhibitor","chembl_id":"CHEMBL277465","molregno":25395,"PubChem_ID":"2984","pref_name":"DENBUFYLLINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_stem":"-fylline","usan_stem_definition":"theophylline derivatives","withdrawn_flag":0}
{"pert_id":"BRD-K37814297","pert_iname":"acepromazine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NOSIYYJFMPDDSA","inchi_key":"NOSIYYJFMPDDSA-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O","pubchem_cid":"20832455","MOA":"Dopamine receptor antagonist"}
{"pert_id":"BRD-K37846922","pert_iname":"3,3'-diindolylmethane","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VFTRKSBEFQDZKX","inchi_key":"VFTRKSBEFQDZKX-UHFFFAOYSA-N","canonical_smiles":"C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12","pubchem_cid":"3071","MOA":"CHK inhibitor; Cytochrome P450 activator; Indoleamine 2,3-dioxygenase inhibitor","chembl_id":"CHEMBL446452","molregno":386903,"PubChem_ID":"3071","DrugBank_ID":"DB11875","pref_name":"ARUNDINE","max_phase":3,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-K37852224","pert_iname":"BRD-K37852224","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DGVXOYJWIGFWKL","inchi_key":"DGVXOYJWIGFWKL-GGUMNFRJSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc3c(NC(=O)Nc4ccc(cc4)C(F)(F)F)cccc3C1=O","pubchem_cid":"44486811"}
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{"pert_id":"BRD-K37879871","pert_iname":"BRD-K37879871","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NGOYQTUHARRYEH","inchi_key":"NGOYQTUHARRYEH-KZNAEPCWSA-N","canonical_smiles":"CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)c1ccncc1","pubchem_cid":"54651231"}
{"pert_id":"BRD-K37883585","pert_iname":"BRD-K37883585","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XHLOUFPZLUULGI","inchi_key":"XHLOUFPZLUULGI-UHFFFAOYSA-N","canonical_smiles":"COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1","pubchem_cid":"5124753","chembl_id":"CHEMBL57427","molregno":90020,"PubChem_ID":"5124753","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K37885773","pert_iname":"WAY-262611","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QHLITPHIARVDJI","inchi_key":"QHLITPHIARVDJI-UHFFFAOYSA-N","canonical_smiles":"NCC1CCN(CC1)c1nccc(n1)-c1ccc2ccccc2c1","pubchem_cid":"25199517","chembl_id":"CHEMBL570667","molregno":579253,"PubChem_ID":"25199517","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K37916557","pert_iname":"SA-1457810","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KYYMAGJDIHMERU","inchi_key":"KYYMAGJDIHMERU-IVAOSVALSA-N","canonical_smiles":"CN1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)N3CCN(CC3)c3ccccc3)CC[C@H]12","pubchem_cid":"54658117"}
{"pert_id":"BRD-K37932103","pert_iname":"BRD-K37932103","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BCBZNEZCZHDODB","inchi_key":"BCBZNEZCZHDODB-UHFFFAOYSA-N","canonical_smiles":"Nc1nc(CSc2nnc3c4ccccc4[nH]c3n2)cs1","pubchem_cid":"6401201"}
{"pert_id":"BRD-K37940862","pert_iname":"BRD-K37940862","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VSWYSDPXUHVQCG","inchi_key":"VSWYSDPXUHVQCG-DTQAZKPQSA-N","canonical_smiles":"Cc1c(n2ccccc2[n+]1C\\C=C\\c1ccccc1)P(=S)(c1ccccc1)c1ccccc1","pubchem_cid":"46930969","chembl_id":"CHEMBL1474387","molregno":898271,"PubChem_ID":"46930969","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K37949327","pert_iname":"etidronic-acid","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DBVJJBKOTRCVKF","inchi_key":"DBVJJBKOTRCVKF-UHFFFAOYSA-N","canonical_smiles":"CC(O)(P(O)(O)=O)P(O)(O)=O","pubchem_cid":"3305","chembl_id":"CHEMBL871","molregno":70675,"PubChem_ID":"3305","DrugBank_ID":"DB01077","pref_name":"ETIDRONIC ACID","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1977,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1970,"availability_type":1,"usan_stem":"-dronate","usan_stem_definition":"calcium metabolism regulators","indication_class":"Bone Resorption Inhibitor,Regulator (calcium)","withdrawn_flag":0}
{"pert_id":"BRD-K37984227","pert_iname":"BRD-K37984227","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VMDOZZHWILGPKU","inchi_key":"VMDOZZHWILGPKU-UHFFFAOYSA-N","canonical_smiles":"[O-][N+](=O)c1ccc(C=NNC(=O)CN2CCOCC2)o1","pubchem_cid":"14165","chembl_id":"CHEMBL1905996","molregno":1246567,"PubChem_ID":"14165","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K38003476","pert_iname":"clocortolone-pivalate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SXYZQZLHAIHKKY","inchi_key":"SXYZQZLHAIHKKY-GSTUPEFVSA-N","canonical_smiles":"C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C","pubchem_cid":"5282493","chembl_id":"CHEMBL1200975","molregno":674926,"PubChem_ID":"5282493","pref_name":"CLOCORTOLONE PIVALATE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1977,"oral":0,"parenteral":0,"topical":1,"natural_product":1,"inorganic_flag":0,"usan_year":1972,"availability_type":1,"usan_stem":"-cort-; -olone","usan_stem_definition":"cortisone derivatives; steroids (not prednisolone derivatives)","indication_class":"Glucocorticoid","withdrawn_flag":0,"mechanism_of_action":"Glucocorticoid receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K38012662","pert_iname":"BRD-K38012662","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MRHAVVLJBCSEMH","inchi_key":"MRHAVVLJBCSEMH-UHFFFAOYSA-N","canonical_smiles":"CCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1","pubchem_cid":"877874","chembl_id":"CHEMBL1332325","molregno":756209,"PubChem_ID":"877874","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K38024133","pert_iname":"BRD-K38024133","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KOLIFEMIJDNSLG","inchi_key":"KOLIFEMIJDNSLG-OSWQYVSFSA-N","canonical_smiles":"COc1ccc(CN(C)C[C@H]2Oc3ccc(NC(=O)Cn4cnnn4)cc3C(=O)N(C[C@@H]2C)[C@H](C)CO)cc1","pubchem_cid":"44489353"}
{"pert_id":"BRD-K38024502","pert_iname":"BRD-K38024502","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LRICTGYJZSQIRK","inchi_key":"LRICTGYJZSQIRK-FQEVSTJZSA-N","canonical_smiles":"COc1ccc2c3c([C@H](CO)N(C[C@]33CN(C3)C(C)=O)C(=O)c3ccncc3)n(C)c2c1","pubchem_cid":"60184946"}
{"pert_id":"BRD-K38044934","pert_iname":"BRD-K38044934","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QSEJYNGOCYTBNI","inchi_key":"QSEJYNGOCYTBNI-IPVFLDMMSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccn2)Oc3cc(ccc3S1(=O)=O)C4=CCCCC4","pubchem_cid":"54630689"}
{"pert_id":"BRD-K38055836","pert_iname":"etamivan","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BQJODPIMMWWMFC","inchi_key":"BQJODPIMMWWMFC-UHFFFAOYSA-N","canonical_smiles":"CCN(CC)C(=O)c1ccc(O)c(OC)c1","pubchem_cid":"9363","MOA":"Respiratory stimulant","chembl_id":"CHEMBL1229908","molregno":692258,"PubChem_ID":"9363","DrugBank_ID":"DB08989","pref_name":"ETHAMIVAN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1961,"availability_type":-1,"indication_class":"Stimulant (central and respiratory)","withdrawn_flag":0}
{"pert_id":"BRD-K38061943","pert_iname":"BRD-K38061943","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GTFOCOKDGPLBEK","inchi_key":"GTFOCOKDGPLBEK-UHFFFAOYSA-N","canonical_smiles":"Cc1cc(NS(=O)(=O)c2ccc3NC(=O)CCc3c2)ccc1Cl","pubchem_cid":"60138093"}
{"pert_id":"BRD-K38113518","pert_iname":"XMD-16144","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XGICKGXGLUYWDW","inchi_key":"XGICKGXGLUYWDW-MDWZMJQESA-N","canonical_smiles":"CN(C)C\\C=C\\C(=O)Nc1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1","pubchem_cid":"73707533"}
{"pert_id":"BRD-K38144109","pert_iname":"BRD-K38144109","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LCGKYSOTAAWDQI","inchi_key":"LCGKYSOTAAWDQI-XJVVAVADSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C1=O","pubchem_cid":"44490371"}
{"pert_id":"BRD-K38181288","pert_iname":"BRD-K38181288","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VUSRCQTTXZVLHF","inchi_key":"VUSRCQTTXZVLHF-ZBYYUNFXSA-N","canonical_smiles":"N#Cc1cccc(c1)-c1ccc(cc1)[C@H]1[C@H]2CN(Cc3cocn3)C[C@@H]1N2","pubchem_cid":"60185558"}
{"pert_id":"BRD-K38197229","pert_iname":"bumetanide","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MAEIEVLCKWDQJH","inchi_key":"MAEIEVLCKWDQJH-UHFFFAOYSA-N","canonical_smiles":"CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O","pubchem_cid":"2471","MOA":"Solute carrier family member inhibitor","chembl_id":"CHEMBL1072","molregno":139281,"PubChem_ID":"2471","DrugBank_ID":"DB00887","pref_name":"BUMETANIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1983,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"availability_type":1,"usan_stem":"-etanide","usan_stem_definition":"diuretics (piretanide type)","indication_class":"Diuretic","withdrawn_flag":0,"mechanism_of_action":"Sodium-(potassium)-chloride cotransporter 2 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K38205437","pert_iname":"BRD-K38205437","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YCBAHVPGHXUZCR","inchi_key":"YCBAHVPGHXUZCR-UAVUOLJFSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc3c(NS(=O)(=O)c4c(C)noc4C)cccc3C1=O","pubchem_cid":"44494334"}
{"pert_id":"BRD-K38251852","pert_iname":"paxilline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ACNHBCIZLNNLRS","inchi_key":"ACNHBCIZLNNLRS-UBGQALKQSA-N","canonical_smiles":"CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)[C@H](Cc5c4[nH]c6ccccc56)CC[C@@]3(O)C2=CC1=O","pubchem_cid":"105008","MOA":"Potassium channel blocker","chembl_id":"CHEMBL410063","molregno":430048,"PubChem_ID":"105008","pref_name":"PAXILLINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K38294617","pert_iname":"BRD-K38294617","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VNWGQZGENSFMNJ","inchi_key":"VNWGQZGENSFMNJ-GQIGUUNPSA-N","canonical_smiles":"CC(C)NC(=O)Nc1ccc2O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)Cc2c1","pubchem_cid":"44496321"}
{"pert_id":"BRD-K38305202","pert_iname":"domperidone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FGXWKSZFVQUSTL","inchi_key":"FGXWKSZFVQUSTL-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1","pubchem_cid":"3151","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL219916","molregno":364745,"PubChem_ID":"3151","DrugBank_ID":"DB01184","pref_name":"DOMPERIDONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"availability_type":-1,"usan_stem":"-peridone","usan_stem_definition":"antipsychotics (risperidone type)","indication_class":"Anti-Emetic","withdrawn_flag":0,"mechanism_of_action":"Dopamine D2 receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K38310698","pert_iname":"troleandomycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LQCLVBQBTUVCEQ","inchi_key":"LQCLVBQBTUVCEQ-QTFUVMRISA-N","canonical_smiles":"CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)C)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C","pubchem_cid":"202225","chembl_id":"CHEMBL564085","molregno":559106,"PubChem_ID":"202225","DrugBank_ID":"DB13179","pref_name":"TROLEANDOMYCIN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1969,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1968,"availability_type":0,"usan_stem":"-mycin","usan_stem_definition":"antibiotics (Streptomyces strains)","indication_class":"Antibacterial","withdrawn_flag":0,"mechanism_of_action":"70S ribosome inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Indicated for Streptococcus pneumoniae, Streptococcus pyogenes, Diplococcus pneumoniae"}
{"pert_id":"BRD-K38323065","pert_iname":"phenacetin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CPJSUEIXXCENMM","inchi_key":"CPJSUEIXXCENMM-UHFFFAOYSA-N","canonical_smiles":"CCOc1ccc(NC(C)=O)cc1","pubchem_cid":"4754","MOA":"Cyclooxygenase inhibitor","chembl_id":"CHEMBL16073","molregno":16498,"PubChem_ID":"4754","DrugBank_ID":"DB03783","pref_name":"PHENACETIN","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"withdrawn_flag":1,"withdrawn_year":1980,"withdrawn_country":"United Kingdom; United States; Germany; Denmark","withdrawn_reason":"Nephropathy","withdrawn_class":"Nephrotoxicity","mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"The mechanism of action is a combination of peripheral and central actions, neither of which involves inhibition of cyclooxygenase. Since a major portion of a dose of phenacetin is rapidly metabolised to paracetamol, it seems possible that phenacetin owes some of its therapeutic activity to its main metabolite, paracetamol."}
{"pert_id":"BRD-K38324426","pert_iname":"EMF-sumo1-8","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YXSWGHDOGYIRBI","inchi_key":"YXSWGHDOGYIRBI-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(cc1)S(=O)(=O)NC2CCCCCCC2","pubchem_cid":"260972","chembl_id":"CHEMBL1486193","molregno":910077,"PubChem_ID":"260972","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K38340366","pert_iname":"MW-STK33-1C","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VFLCEEKFNGVMNQ","inchi_key":"VFLCEEKFNGVMNQ-YBEGLDIGSA-N","canonical_smiles":"COc1ccccc1NC2=NC(=O)/C(=C/c3ccc(O)c(OC)c3)/S2","pubchem_cid":"5765514"}
{"pert_id":"BRD-K38369496","pert_iname":"BRD-K38369496","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RZSIRGHHQLUCLA","inchi_key":"RZSIRGHHQLUCLA-AJNDZUEZSA-N","canonical_smiles":"C\\C=C\\c1ccc(cc1)[C@@H]1[C@@H]2CNC[C@H]1N2S(=O)(=O)c1c(C)noc1C","pubchem_cid":"60184984"}
{"pert_id":"BRD-K38436528","pert_iname":"imipramine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BCGWQEUPMDMJNV","inchi_key":"BCGWQEUPMDMJNV-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCCN1c2ccccc2CCc2ccccc12","pubchem_cid":"3696","MOA":"Norepinephrine reuptake inhibitor; Serotonin reuptake inhibitor","chembl_id":"CHEMBL11","molregno":605,"PubChem_ID":"3696","DrugBank_ID":"DB00458","pref_name":"IMIPRAMINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1959,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"usan_stem":"-pramine","usan_stem_definition":"antidepressants (imipramine type)","indication_class":"Antidepressant","withdrawn_flag":0}
{"pert_id":"BRD-K38449220","pert_iname":"seneciphylline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FCEVNJIUIMLVML","inchi_key":"FCEVNJIUIMLVML-QPSVUOIXSA-N","canonical_smiles":"C/C=C\\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32","pubchem_cid":"5281750","MOA":"Cytochrome P450 inhibitor","chembl_id":"CHEMBL523911","molregno":522762,"PubChem_ID":"5281750","pref_name":"SENECIPHYLLINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K38454082","pert_iname":"BRD-K38454082","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SJWFFWCCDVHJSO","inchi_key":"SJWFFWCCDVHJSO-FXIKWKPTSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccccc4)cc3C1=O","pubchem_cid":"44619827"}
{"pert_id":"BRD-K38455110","pert_iname":"BRD-K38455110","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UAUOFZFFKSPQKO","inchi_key":"UAUOFZFFKSPQKO-CJYOKPGZSA-N","canonical_smiles":"COc1ccc(cc1)S(=O)(=O)Nc2cccc3C(=O)N(C[C@@H](C)[C@H](CN(C)Cc4ccc(cc4)C(F)(F)F)Oc23)[C@H](C)CO","pubchem_cid":"44486809"}
{"pert_id":"BRD-K38465286","pert_iname":"BRD-K38465286","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WUTWOTUGUGYJMW","inchi_key":"WUTWOTUGUGYJMW-FNOOTYBYSA-N","canonical_smiles":"CCNC[C@H]1[C@H]([C@@H](CO)N1C(=O)C1CCCC1)c1ccc(cc1)\\C=C\\C","pubchem_cid":"60182633"}
{"pert_id":"BRD-K38477985","pert_iname":"malonoben","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MKUVGSJPVXTADZ","inchi_key":"MKUVGSJPVXTADZ-UHFFFAOYSA-N","canonical_smiles":"CC(C)(C)c1cc(C=C(C#N)[N+]#[C-])cc(c1O)C(C)(C)C","pubchem_cid":"16759147","MOA":"Protein tyrosine kinase inhibitor","chembl_id":"CHEMBL1559578","molregno":983462,"PubChem_ID":"16759147","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K38483076","pert_iname":"KU-C103655","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IFVNDQLFGOHRTK","inchi_key":"IFVNDQLFGOHRTK-UHFFFAOYSA-N","canonical_smiles":"Fc1ccccc1-n1sc2ccccc2c1=O","pubchem_cid":"22416236","chembl_id":"CHEMBL1702981","molregno":1083712,"PubChem_ID":"22416236","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K38519699","pert_iname":"BRD-K38519699","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AIWMNFKLTIXQRS","inchi_key":"AIWMNFKLTIXQRS-GVNDJSPXSA-N","canonical_smiles":"COc1ccc(cc1)S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3CC(=O)N(C[C@H]2C)[C@H](C)CO","pubchem_cid":"44494043"}
{"pert_id":"BRD-K38553273","pert_iname":"BRD-K38553273","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KEFKPOALKIRQIF","inchi_key":"KEFKPOALKIRQIF-CUVVAGTFSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(F)(F)F)Oc3c(NC(=O)c4ccncc4)cccc3C1=O","pubchem_cid":"44486194","chembl_id":"CHEMBL2141055","molregno":1413006,"PubChem_ID":"44486194","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K38594532","pert_iname":"BRD-K38594532","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DSHPDBIZJLDJKA","inchi_key":"DSHPDBIZJLDJKA-XLNZFTOWSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3OCCOc3c2)OCc4cn(CCCC1=O)nn4","pubchem_cid":"44506075"}
{"pert_id":"BRD-K38596918","pert_iname":"BRD-K38596918","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CBWRIRMQOLBIDB","inchi_key":"CBWRIRMQOLBIDB-UHFFFAOYSA-N","canonical_smiles":"CC(C)(C)c1ccc(OCCCn2c(=O)sc3ccccc23)cc1","pubchem_cid":"6620960"}
{"pert_id":"BRD-K38599483","pert_iname":"BRD-K38599483","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ANNRRBNONSWPEH","inchi_key":"ANNRRBNONSWPEH-RROHFTNDSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc4c(NC(=O)NC5CCCCC5)cccc4C1=O","pubchem_cid":"44494258"}
{"pert_id":"BRD-K38615104","pert_iname":"A-443644","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YWTBGJGMTBHQTM","inchi_key":"YWTBGJGMTBHQTM-IBGZPJMESA-N","canonical_smiles":"Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1","pubchem_cid":"10172943","MOA":"AKT inhibitor","chembl_id":"CHEMBL379300","molregno":350698,"PubChem_ID":"10172943","DrugBank_ID":"DB08073","pref_name":"A-443654","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K38615358","pert_iname":"BRD-K38615358","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YQGAKIQJRGADCP","inchi_key":"YQGAKIQJRGADCP-XHNVNVPESA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2cccc(F)c2)Oc3ncc(cc3C1=O)C4=CCCCC4","pubchem_cid":"54625454"}
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{"pert_id":"BRD-K47071092","pert_iname":"BRD-K47071092","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DOYGEULPHZGEAI","inchi_key":"DOYGEULPHZGEAI-OAWRCXNGSA-N","canonical_smiles":"CCOC(=O)c1cc2CN([C@@H](CCO)c2c(n1)c3cccc(c3)c4cccc(OC)c4)S(=O)C(C)(C)C","pubchem_cid":"56835591"}
{"pert_id":"BRD-K47077178","pert_iname":"BRD-K47077178","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KUOLKNDJLDMVPT","inchi_key":"KUOLKNDJLDMVPT-AVYPCKFXSA-N","canonical_smiles":"CNC[C@@H]1Oc2ncc(cc2C(=O)N(C[C@@H]1C)[C@@H](C)CO)c3ccc(OC)cc3","pubchem_cid":"54619492"}
{"pert_id":"BRD-K47084999","pert_iname":"BRD-K47084999","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UHVSTJKUHPUVGN","inchi_key":"UHVSTJKUHPUVGN-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(Nc2nc(=O)c3cccnc3s2)cc1","pubchem_cid":"973891","chembl_id":"CHEMBL1481930","molregno":905814,"PubChem_ID":"973891","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47121420","pert_iname":"BRD-K47121420","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MARYDHBQWVLAFX","inchi_key":"MARYDHBQWVLAFX-WJDOUZETSA-N","canonical_smiles":"OC[C@H]1O[C@@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)C[C@@H]4[C@H]1Oc5ccc(NC(=O)C6CCOCC6)cc45","pubchem_cid":"54646442"}
{"pert_id":"BRD-K47128441","pert_iname":"BRD-K47128441","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XHNONWNSNGMLFF","inchi_key":"XHNONWNSNGMLFF-UHFFFAOYSA-N","canonical_smiles":"Nn1c(=O)c(Cc2ccco2)n[nH]c1=S","pubchem_cid":"708538"}
{"pert_id":"BRD-K47147974","pert_iname":"BRD-K47147974","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JMUKWVCHLKIZFA","inchi_key":"JMUKWVCHLKIZFA-UHFFFAOYSA-N","canonical_smiles":"Clc1ccsc1C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12","pubchem_cid":"44460111","chembl_id":"CHEMBL1270311","molregno":709552,"PubChem_ID":"44460111","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47150025","pert_iname":"KI-8751","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LFKQSJNCVRGFCC","inchi_key":"LFKQSJNCVRGFCC-UHFFFAOYSA-N","canonical_smiles":"COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC","pubchem_cid":"11317348","MOA":"KIT inhibitor; PDGFR receptor inhibitor; VEGFR inhibitor","chembl_id":"CHEMBL178455","molregno":299423,"PubChem_ID":"11317348","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47170156","pert_iname":"BRD-K47170156","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KRXRVHFKFUXJQG","inchi_key":"KRXRVHFKFUXJQG-PMOQBDJRSA-N","canonical_smiles":"OC[C@H]1Nc2ccc(cc2[C@@H]2[C@H]1CCN2C(=O)C1CCC1)-c1ccc(cc1)C#N","pubchem_cid":"60187952","chembl_id":"CHEMBL3560928","molregno":1942679,"PubChem_ID":"60187952","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47192521","pert_iname":"icosapent","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JAZBEHYOTPTENJ","inchi_key":"JAZBEHYOTPTENJ-JLNKQSITSA-N","canonical_smiles":"CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC(O)=O","pubchem_cid":"446284","MOA":"Platelet aggregation inhibitor","chembl_id":"CHEMBL460026","molregno":446432,"PubChem_ID":"446284","DrugBank_ID":"DB00159","pref_name":"ICOSAPENT","max_phase":3,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-1,"withdrawn_flag":0,"mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Lipid regulating agent. The mechanism is not fully elucidated. There are several proposed mechanisms (e.g. increased β-oxidation, inhibition of acyl-CoA:1,2-diacylglycerol acyltransferase (DGAT), decreased lipogenesis, increased plasma lipoprotein lipase activity). "}
{"pert_id":"BRD-K47207162","pert_iname":"zimelidine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OYPPVKRFBIWMSX","inchi_key":"OYPPVKRFBIWMSX-CXUHLZMHSA-N","canonical_smiles":"CN(C)C/C=C(\\c1ccc(Br)cc1)/c2cccnc2","pubchem_cid":"5365247","MOA":"Serotonin reuptake inhibitor","chembl_id":"CHEMBL37744","molregno":54070,"PubChem_ID":"5365247","DrugBank_ID":"DB04832","pref_name":"ZIMELDINE","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1977,"availability_type":-2,"indication_class":"Antidepressant","withdrawn_flag":1,"withdrawn_year":1983,"withdrawn_country":"United Kingdom, Germany","withdrawn_reason":"Guillan-Barre Syndrome, hepatotoxicity","withdrawn_class":"Hepatotoxicity"}
{"pert_id":"BRD-K47278471","pert_iname":"diphenhydramine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZZVUWRFHKOJYTH","inchi_key":"ZZVUWRFHKOJYTH-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCOC(c1ccccc1)c1ccccc1","pubchem_cid":"8980","MOA":"Histamine receptor antagonist"}
{"pert_id":"BRD-K47323024","pert_iname":"methapyrilene","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HNJJXZKZRAWDPF","inchi_key":"HNJJXZKZRAWDPF-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCN(Cc1cccs1)c1ccccn1","pubchem_cid":"8667","MOA":"Histamine receptor antagonist","chembl_id":"CHEMBL1255739","molregno":704719,"PubChem_ID":"8667","pref_name":"METHAPYRILENE HYDROCHLORIDE","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-2,"withdrawn_flag":1,"withdrawn_year":1979,"withdrawn_country":"United Kingdom; United States; Germany","withdrawn_reason":"Animal carcinogenicity (rodents)","withdrawn_class":"Carcinogenicity","mechanism_of_action":"Histamine H1 receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K47324077","pert_iname":"BRD-K47324077","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GSCZKMPUXKZISH","inchi_key":"GSCZKMPUXKZISH-UHFFFAOYSA-N","canonical_smiles":"CC(=O)N1CCN(CC1)c2ccc(NCc3ccc(Br)o3)cc2","pubchem_cid":"44142155","chembl_id":"CHEMBL1354816","molregno":778700,"PubChem_ID":"44142155","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47328134","pert_iname":"lysylphenylalanyl-tyrosine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CNKBMTKICGGSCQ","inchi_key":"CNKBMTKICGGSCQ-ACRUOGEOSA-N","canonical_smiles":"NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O","pubchem_cid":"6710772","MOA":"Heparin activation inhibitor","chembl_id":"CHEMBL3039098","molregno":1591918,"PubChem_ID":"6710772","pref_name":"LYSYLPHENYLALANYLTYROSINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Protein","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47342144","pert_iname":"BRD-K47342144","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MMNQAUQQDWQNRV","inchi_key":"MMNQAUQQDWQNRV-OOSCYNTBSA-N","canonical_smiles":"CN(C)C(=O)c1cccc(c1)-c1ccc(cc1)[C@@H]1[C@H]2CN(Cc3ccccc3F)C[C@@H]1N2","pubchem_cid":"60184882"}
{"pert_id":"BRD-K47396627","pert_iname":"BRD-K47396627","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OANCONKVZGQSHB","inchi_key":"OANCONKVZGQSHB-CYNXIGLJSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccncc4)cc3C1=O","pubchem_cid":"54615043"}
{"pert_id":"BRD-K47407372","pert_iname":"nifenazone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BRZANEXCSZCZCI","inchi_key":"BRZANEXCSZCZCI-UHFFFAOYSA-N","canonical_smiles":"Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C","pubchem_cid":"4487","chembl_id":"CHEMBL1413176","molregno":837060,"PubChem_ID":"4487","DrugBank_ID":"DB13407","pref_name":"NIFENAZONE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-K47407883","pert_iname":"BRD-K47407883","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"POAXSVANNSAIAV","inchi_key":"POAXSVANNSAIAV-ZLNRFVROSA-N","canonical_smiles":"OC[C@@H]1[C@H]([C@@H](C#N)N1S(=O)(=O)c1ccccc1)c1ccc(cc1)C1=CCCCC1","pubchem_cid":"54650007"}
{"pert_id":"BRD-K47419679","pert_iname":"BRD-K47419679","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SKCLKWXALHCSPG","inchi_key":"SKCLKWXALHCSPG-BNJCFXFUSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)O)Oc3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3CC1=O","pubchem_cid":"54614400"}
{"pert_id":"BRD-K47436535","pert_iname":"BRD-K47436535","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YUYBEPSVBUXRNH","inchi_key":"YUYBEPSVBUXRNH-LARQVZHXSA-N","canonical_smiles":"COc1ccc(NC(=O)Nc2ccc3O[C@H](C)CCCCO[C@@H](CN(C)Cc4ccc(Cl)c(Cl)c4)[C@H](C)CN([C@@H](C)CO)C(=O)c3c2)cc1","pubchem_cid":"44617171"}
{"pert_id":"BRD-K47448802","pert_iname":"BRD-K47448802","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VNRSRVXFGIQMBW","inchi_key":"VNRSRVXFGIQMBW-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)N1CCC(CC1)NCCNC(=O)c2ccccc2","pubchem_cid":"650899","chembl_id":"CHEMBL1609153","molregno":1033037,"PubChem_ID":"650899","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47490989","pert_iname":"BRD-K47490989","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HUFSBUXRUCQVGZ","inchi_key":"HUFSBUXRUCQVGZ-STQMWFEESA-N","canonical_smiles":"Fc1cccc(F)c1S(=O)(=O)N2C[C@@H]3C[C@H]2CN3S(=O)(=O)c4ccc5OCCOc5c4","pubchem_cid":"44142126","chembl_id":"CHEMBL1889570","molregno":1230141,"PubChem_ID":"44142126","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47503321","pert_iname":"BL003-049-HDAC3","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-K47512679","pert_iname":"BRD-K47512679","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VBBNZRJPYJBSEQ","inchi_key":"VBBNZRJPYJBSEQ-HSZRJFAPSA-N","canonical_smiles":"COc1ccc2c3c([C@@H](CO)N(Cc4cc(F)ccc4F)C[C@]33CN(C3)C(=O)C3CC3)n(C)c2c1","pubchem_cid":"60189879"}
{"pert_id":"BRD-K47517065","pert_iname":"BRD-K47517065","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NXVHKURFMFTURR","inchi_key":"NXVHKURFMFTURR-XLNZFTOWSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc3cc(ccc3S1(=O)=O)C4=CCCCC4","pubchem_cid":"54620981"}
{"pert_id":"BRD-K47533800","pert_iname":"BRD-K47533800","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GMYAYTAKTSTYEI","inchi_key":"GMYAYTAKTSTYEI-LLTQPOKBSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2C1=O","pubchem_cid":"44495043","chembl_id":"CHEMBL3186940","molregno":1676231,"PubChem_ID":"44495043","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47533918","pert_iname":"BRD-K47533918","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CCWJWXJNOLFYBD","inchi_key":"CCWJWXJNOLFYBD-WBJKNQCFSA-N","canonical_smiles":"CN1[C@H]2CC[C@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]2COc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2C1=O","pubchem_cid":"54654288","chembl_id":"CHEMBL2136392","molregno":1408343,"PubChem_ID":"54654288","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47535255","pert_iname":"BRD-K47535255","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BNHVRFCGSSWNGD","inchi_key":"BNHVRFCGSSWNGD-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)NCCc1ccc(OC(=O)OCC)c(OC(=O)OCC)c1","pubchem_cid":"73707556"}
{"pert_id":"BRD-K47539947","pert_iname":"tetradecylthioacetic-acid","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IPBCWPPBAWQYOO","inchi_key":"IPBCWPPBAWQYOO-UHFFFAOYSA-N","canonical_smiles":"CCCCCCCCCCCCCCSCC(O)=O","pubchem_cid":"114924","MOA":"Lipid peroxidase inhibitor","chembl_id":"CHEMBL187734","molregno":314747,"PubChem_ID":"114924","pref_name":"TETRADECYLTHIOACETIC ACID","max_phase":2,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-K47551852","pert_iname":"BRD-K47551852","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OJBHRHOQEWVARJ","inchi_key":"OJBHRHOQEWVARJ-LCQQBMRFSA-N","canonical_smiles":"O[C@H]1COC[C@@H]2O[C@@H](CC(=O)Nc3ccc(cc3)-c3ccccc3)CC[C@H]2N(Cc2ccc3OCOc3c2)C1","pubchem_cid":"54657605"}
{"pert_id":"BRD-K47558670","pert_iname":"BRD-K47558670","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RRTIWHGSFRWPSK","inchi_key":"RRTIWHGSFRWPSK-UETOGOEVSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(F)(F)F)Oc3ccc(NC(=O)Nc4ccccc4)cc3CC1=O","pubchem_cid":"44502838"}
{"pert_id":"BRD-K47586560","pert_iname":"BRD-K47586560","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OANCONKVZGQSHB","inchi_key":"OANCONKVZGQSHB-IZPIQJOWSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc3ccc(NC(=O)c4ccncc4)cc3C1=O","pubchem_cid":"44619021"}
{"pert_id":"BRD-K47598052","pert_iname":"PP-1","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZVPDNRVYHLRXLX","inchi_key":"ZVPDNRVYHLRXLX-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C","pubchem_cid":"1400","MOA":"ABL inhibitor; SRC inhibitor","chembl_id":"CHEMBL306380","molregno":107975,"PubChem_ID":"1400","DrugBank_ID":"DB01809","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K47622659","pert_iname":"ST-4042556","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NAZTWGOQPYAEMF","inchi_key":"NAZTWGOQPYAEMF-UHFFFAOYSA-N","canonical_smiles":"Clc1cc(NC2CCCCC2)c3C(=O)c4ccccc4-c5onc1c53","pubchem_cid":"1049140"}
{"pert_id":"BRD-K47631482","pert_iname":"bromhexine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OJGDCBLYJGHCIH","inchi_key":"OJGDCBLYJGHCIH-UHFFFAOYSA-N","canonical_smiles":"CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1","pubchem_cid":"2442","MOA":"Mucolytic agent","chembl_id":"CHEMBL253376","molregno":418419,"PubChem_ID":"2442","DrugBank_ID":"DB09019","pref_name":"BROMHEXINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1969,"availability_type":-1,"indication_class":"Expectorant; Mucolytic","withdrawn_flag":0,"mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Bromhexine is a secretolytic agent, increasing the production of serous mucus in the respiratory tract and makes the phlegm thinner and less viscous. This contributes to a secretomotoric effect by helping the cilia transport the phlegm out of the lungs. Its mechanism of action is complex and remains incompletely explored."}
{"pert_id":"BRD-K47636083","pert_iname":"BRD-K47636083","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YKADZYQVAJPHMU","inchi_key":"YKADZYQVAJPHMU-RDJYNFKMSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C1=O","pubchem_cid":"44619186"}
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{"pert_id":"BRD-K50398167","pert_iname":"meclofenamic-acid","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SBDNJUWAMKYJOX","inchi_key":"SBDNJUWAMKYJOX-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl","pubchem_cid":"23663959","MOA":"Cyclooxygenase inhibitor; Prostanoid receptor antagonist","chembl_id":"CHEMBL1562610","molregno":986494,"PubChem_ID":"23663959","pref_name":"MECLOFENAMATE SODIUM","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1980,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1978,"availability_type":1,"usan_stem":"-fenamate","usan_stem_definition":"anti-inflammatory agents (anthranilic acid derivatives) and their salts or esters","withdrawn_flag":0,"mechanism_of_action":"Arachidonate 5-lipoxygenase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K50859149","pert_iname":"sulfafurazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NHUHCSRWZMLRLA","inchi_key":"NHUHCSRWZMLRLA-UHFFFAOYSA-N","canonical_smiles":"Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C","pubchem_cid":"5344","MOA":"Bacterial antifolate","chembl_id":"CHEMBL453","molregno":2484,"PubChem_ID":"5344","DrugBank_ID":"DB00263","pref_name":"SULFISOXAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1971,"oral":1,"parenteral":1,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1966,"availability_type":0,"indication_class":"Antibacterial","withdrawn_flag":0,"mechanism_of_action":"Bacterial dihydropteroate synthase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"selectivity_comment":"Broad spectrum"}
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{"pert_id":"BRD-K50916779","pert_iname":"BRD-K50916779","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VCBFKXUOUMVBRD","inchi_key":"VCBFKXUOUMVBRD-CMSZEEODSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@@H](C)Oc3ccc(NC(=O)CCC(F)(F)F)cc3C1=O","pubchem_cid":"44502688"}
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{"pert_id":"BRD-K54070802","pert_iname":"BRD-K54070802","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FEVKOYDOEFRIDM","inchi_key":"FEVKOYDOEFRIDM-UHFFFAOYSA-N","canonical_smiles":"OC(=O)c1ccccc1NS(=O)(=O)c2cccc(c2)n3sc4ccccc4c3=O","pubchem_cid":"4089709","chembl_id":"CHEMBL1333250","molregno":757134,"PubChem_ID":"4089709","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K54094468","pert_iname":"remoxipride","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GUJRSXAPGDDABA","inchi_key":"GUJRSXAPGDDABA-NSHDSACASA-N","canonical_smiles":"CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC","pubchem_cid":"54477","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL22242","molregno":27616,"PubChem_ID":"54477","DrugBank_ID":"DB00409","pref_name":"REMOXIPRIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1990,"oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1985,"availability_type":-2,"usan_stem":"-pride","usan_stem_definition":"sulpride derivatives","indication_class":"Antipsychotic","withdrawn_flag":1,"withdrawn_year":1993,"withdrawn_country":"United Kingdom","withdrawn_reason":"Aplastic anemia","withdrawn_class":"Hematological toxicity","mechanism_of_action":"Dopamine D2 receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Remoxipride binds specifically to the D2 receptor and has little affinity for other central receptors e.g. adrenergic, muscarinic and 5-HT receptors. Therefore, the incidence of adverse effects is less than with other antipsychotics. Dopamine binding to the D2 receptor inhibits the prolactin release from the pituitary into plasma, and therefore, D2 antagonism induces its release."}
{"pert_id":"BRD-K54095730","pert_iname":"CMPD-1","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ODYAQBDIXCVKAE","inchi_key":"ODYAQBDIXCVKAE-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc(NC(=O)CCCc2ccc(cc2)-c2ccccc2F)cc1","pubchem_cid":"11382492","MOA":"p38 MAPK inhibitor","chembl_id":"CHEMBL235658","molregno":399479,"PubChem_ID":"11382492","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K54127914","pert_iname":"BRD-K54127914","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NPSYZFOGEPYHIL","inchi_key":"NPSYZFOGEPYHIL-FIDNPTQWSA-N","canonical_smiles":"COc1ccccc1CN1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(cc1)-c1ccncc1","pubchem_cid":"60184964"}
{"pert_id":"BRD-K54142781","pert_iname":"cirazoline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YAORIDZYZDUZCM","inchi_key":"YAORIDZYZDUZCM-UHFFFAOYSA-N","canonical_smiles":"C(Oc1ccccc1C1CC1)C1=NCCN1","pubchem_cid":"2765","MOA":"Adrenergic receptor agonist","chembl_id":"CHEMBL13852","molregno":12958,"PubChem_ID":"2765","DrugBank_ID":"DB09202","pref_name":"CIRAZOLINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-azoline","usan_stem_definition":"antihistamines/local vasoconstrictors (antazoline type)","withdrawn_flag":0}
{"pert_id":"BRD-K54159704","pert_iname":"BRD-K54159704","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PIXILRNRMRRSLQ","inchi_key":"PIXILRNRMRRSLQ-ATIYNZHBSA-N","canonical_smiles":"CC(C)(C)OC(=O)CC[C@]1(N=C(O[C@@H]1c2ccccc2)c3ccc(OCCCO)cc3)C(=O)N","pubchem_cid":"24031038"}
{"pert_id":"BRD-K54168141","pert_iname":"BRD-K54168141","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XRFQRJXLBUIRJS","inchi_key":"XRFQRJXLBUIRJS-UHFFFAOYSA-N","canonical_smiles":"COc1cccc(c1)c2ccc3ncnc(N(C)Cc4ccco4)c3c2","pubchem_cid":"3233276","chembl_id":"CHEMBL1399528","molregno":823412,"PubChem_ID":"3233276","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K54168243","pert_iname":"Z-36","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CQNOITUXWKRVMB","inchi_key":"CQNOITUXWKRVMB-JAIQZWGSSA-N","canonical_smiles":"COc1ccc2[nH]cc(\\C=C3/C(=O)N(CCCN(C)C)c4ccc(F)cc34)c2c1","pubchem_cid":"71311634"}
{"pert_id":"BRD-K54208592","pert_iname":"carbaryl","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CVXBEEMKQHEXEN","inchi_key":"CVXBEEMKQHEXEN-UHFFFAOYSA-N","canonical_smiles":"CNC(=O)Oc1cccc2ccccc12","pubchem_cid":"6129","chembl_id":"CHEMBL46917","molregno":66028,"PubChem_ID":"6129","pref_name":"CARBARIL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-1,"usan_stem":"-aril","usan_stem_definition":"antiviral (arildone derivatives)","withdrawn_flag":0,"mechanism_of_action":"Acetylcholinesterase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Carbaryl is a reversible inhibitor of the enzyme acetylcholinesterase. It resembles acetylcholine, but the carbamoylated enzyme undergoes the final hydrolysis step very slowly (minutes) compared with the acetylated enzyme generated by acetylcholine (microseconds). It interferes with the cholinergic nervous system and causes death because the effects of the neurotransmitter acetylcholine cannot be terminated by carbamoylated acetylcholinesterase."}
{"pert_id":"BRD-K54210043","pert_iname":"NS-1619","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YLFMCMWKHSDUCT","inchi_key":"YLFMCMWKHSDUCT-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc(cc1n2c(=O)[nH]c3cc(ccc23)C(F)(F)F)C(F)(F)F","pubchem_cid":"4552","MOA":"Calcium channel activator","chembl_id":"CHEMBL384903","molregno":369183,"PubChem_ID":"4552","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K54233340","pert_iname":"dorsomorphin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XHBVYDAKJHETMP","inchi_key":"XHBVYDAKJHETMP-UHFFFAOYSA-N","canonical_smiles":"C(CN1CCCCC1)Oc2ccc(cc2)c3cnc4c(cnn4c3)c5ccncc5","pubchem_cid":"11524144","MOA":"AMPK inhibitor","chembl_id":"CHEMBL478629","molregno":489620,"PubChem_ID":"11524144","DrugBank_ID":"DB08597","pref_name":"DORSOMORPHIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K54247306","pert_iname":"BRD-K54247306","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QQIOQVYYWJVUEN","inchi_key":"QQIOQVYYWJVUEN-IJLUTSLNSA-N","canonical_smiles":"OC[C@H]1O[C@@H](CC(=O)NCC(F)(F)F)C=C[C@H]1NC(=O)CC1CC1","pubchem_cid":"54638414"}
{"pert_id":"BRD-K54256913","pert_iname":"MK-1775","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BKWJAKQVGHWELA","inchi_key":"BKWJAKQVGHWELA-UHFFFAOYSA-N","canonical_smiles":"CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1","pubchem_cid":"24856436","MOA":"WEE1 kinase inhibitor","chembl_id":"CHEMBL1976040","molregno":1297331,"PubChem_ID":"24856436","DrugBank_ID":"DB11740","pref_name":"ADAVOSERTIB","max_phase":2,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2017,"usan_stem":"-sertib","usan_stem_definition":"serine/threonine kinase inhibitors","withdrawn_flag":0,"mechanism_of_action":"Serine/threonine-protein kinase WEE1 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K54262262","pert_iname":"monobenzone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VYQNWZOUAUKGHI","inchi_key":"VYQNWZOUAUKGHI-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc(OCc2ccccc2)cc1","pubchem_cid":"7638","chembl_id":"CHEMBL1388","molregno":328158,"PubChem_ID":"7638","DrugBank_ID":"DB00600","pref_name":"MONOBENZONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1952,"oral":0,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"availability_type":0,"indication_class":"Depigmentor","withdrawn_flag":0,"mechanism_of_action":"Tyrosinase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K54285697","pert_iname":"BRD-K54285697","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NWAOHTRJRZZISF","inchi_key":"NWAOHTRJRZZISF-GMNHBYEWSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4ccccc4)cc3C1=O","pubchem_cid":"44491503"}
{"pert_id":"BRD-K54294645","pert_iname":"BRD-K54294645","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CSXAVIOBTDLUSY","inchi_key":"CSXAVIOBTDLUSY-AKFKNWHVSA-N","canonical_smiles":"OC[C@@H]1[C@H]([C@H]2CN(CC(=O)N12)C(=O)c1cccnc1)c1ccc(cc1)-c1ccccc1F","pubchem_cid":"60191131"}
{"pert_id":"BRD-K54302962","pert_iname":"BRD-K54302962","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CNGAJTGATCBZHJ","inchi_key":"CNGAJTGATCBZHJ-HOOSLVGPSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)Oc3cc(ccc3S1(=O)=O)c4ccc(F)cc4","pubchem_cid":"54625500"}
{"pert_id":"BRD-K54314721","pert_iname":"zolmitriptan","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ULSDMUVEXKOYBU","inchi_key":"ULSDMUVEXKOYBU-ZDUSSCGKSA-N","canonical_smiles":"CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12","pubchem_cid":"60857","MOA":"Serotonin receptor agonist","chembl_id":"CHEMBL1185","molregno":196215,"PubChem_ID":"60857","DrugBank_ID":"DB00315","pref_name":"ZOLMITRIPTAN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1997,"oral":1,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1997,"availability_type":1,"usan_stem":"-triptan","usan_stem_definition":"antimigraine agents (5-HT1 receptor agonists),sumatriptan derivatives","indication_class":"Antimigraine","withdrawn_flag":0,"mechanism_of_action":"Serotonin 1b (5-HT1b) receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K54316499","pert_iname":"tolterodine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OOGJQPCLVADCPB","inchi_key":"OOGJQPCLVADCPB-HXUWFJFHSA-N","canonical_smiles":"CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C","pubchem_cid":"9847786","MOA":"Acetylcholine receptor antagonist","chembl_id":"CHEMBL1722209","molregno":1102940,"PubChem_ID":"9847786","pref_name":"TOLTERODINE TARTRATE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1998,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1997,"availability_type":1,"withdrawn_flag":0,"mechanism_of_action":"Muscarinic acetylcholine receptor M2 antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Indicated for overactive bladder, M2 likely responsible"}
{"pert_id":"BRD-K54330070","pert_iname":"SB-202190","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QHKYPYXTTXKZST","inchi_key":"QHKYPYXTTXKZST-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1","pubchem_cid":"5353940","MOA":"p38 MAPK inhibitor"}
{"pert_id":"BRD-K54331210","pert_iname":"BRD-K54331210","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NQORNRXANZIMLI","inchi_key":"NQORNRXANZIMLI-UHFFFAOYSA-N","canonical_smiles":"OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl","pubchem_cid":"24178170","chembl_id":"CHEMBL461194","molregno":471334,"PubChem_ID":"24178170","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K54335715","pert_iname":"BRD-K54335715","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ULPICNQPCCMLSF","inchi_key":"ULPICNQPCCMLSF-NRFANRHFSA-N","canonical_smiles":"COc1ccc2c3c([C@H](CO)N(C)C[C@]33CN(C3)S(=O)(=O)c3cccc(C)c3)n(C)c2c1","pubchem_cid":"60190129"}
{"pert_id":"BRD-K54343811","pert_iname":"BRD-K54343811","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-K54405293","pert_iname":"BRD-K54405293","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FOJIGPFBFSLRGR","inchi_key":"FOJIGPFBFSLRGR-UHFFFAOYSA-N","canonical_smiles":"CNc1nc(N)c(c(Nc2ccccc2)n1)[N+]([O-])=O","pubchem_cid":"3449329"}
{"pert_id":"BRD-K54411430","pert_iname":"robustic-acid","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MBZKDBQDALOSRP","inchi_key":"MBZKDBQDALOSRP-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1)c2c(O)c3c(OC)c4C=CC(C)(C)Oc4cc3oc2=O","pubchem_cid":"54677407","MOA":"cAMP inhibitor","chembl_id":"CHEMBL400777","molregno":421442,"PubChem_ID":"54677407","pref_name":"ROBUSTIC ACID","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K54416256","pert_iname":"methimazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"PMRYVIKBURPHAH","inchi_key":"PMRYVIKBURPHAH-UHFFFAOYSA-N","canonical_smiles":"Cn1cc[nH]c1=S","pubchem_cid":"1349907","MOA":"Antithyroid","chembl_id":"CHEMBL1515","molregno":421089,"PubChem_ID":"1349907","DrugBank_ID":"DB00763","pref_name":"METHIMAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1950,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"indication_class":"Thyroid Inhibitor","withdrawn_flag":0,"mechanism_of_action":"Thyroid peroxidase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K54470384","pert_iname":"BRD-K54470384","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OVAMOESLIVIBCJ","inchi_key":"OVAMOESLIVIBCJ-UHFFFAOYSA-N","canonical_smiles":"Cn1c(NC2=NC3=C(C(=O)CCC3)C3(CCCC3)N2)nc2ccccc12","pubchem_cid":"60138095"}
{"pert_id":"BRD-K54472228","pert_iname":"BRD-K54472228","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WTBCXMYMTQGUPP","inchi_key":"WTBCXMYMTQGUPP-ZETCQYMHSA-N","canonical_smiles":"N[C@@H](CSc1cc(CCOO)cc(O)c1O)C(O)=O","pubchem_cid":"73707553"}
{"pert_id":"BRD-K54472332","pert_iname":"elvitegravir","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JUZYLCPPVHEVSV","inchi_key":"JUZYLCPPVHEVSV-LJQANCHMSA-N","canonical_smiles":"COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C","pubchem_cid":"5277135","MOA":"HIV integrase inhibitor","chembl_id":"CHEMBL204656","molregno":340684,"PubChem_ID":"5277135","DrugBank_ID":"DB09101","pref_name":"ELVITEGRAVIR","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2012,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2007,"availability_type":1,"usan_stem":"-vir","usan_stem_definition":"antivirals: integrase inhibitors","withdrawn_flag":0,"mechanism_of_action":"Human immunodeficiency virus type 1 integrase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"HIV-1 integrase strand transfer inhibitor"}
{"pert_id":"BRD-K54503842","pert_iname":"JAS07-010","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FFKOKIOJYNDYIL","inchi_key":"FFKOKIOJYNDYIL-SFHVURJKSA-N","canonical_smiles":"CC1(C)N2[C@@H](Cc3c1[nH]c4ccccc34)C(=O)N(Cc5ccc(F)cc5)C2=O","pubchem_cid":"24747180","chembl_id":"CHEMBL1699166","molregno":1079897,"PubChem_ID":"24747180","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K54517303","pert_iname":"SA-441350","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QUOXJXBRTLYMMS","inchi_key":"QUOXJXBRTLYMMS-FGSXEWAUSA-N","canonical_smiles":"CC(C)NC(=O)Nc1ccc2O[C@@H](CN(C)C(=O)NC(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)Cc2c1","pubchem_cid":"49843099"}
{"pert_id":"BRD-K54529596","pert_iname":"captopril","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FAKRSMQSSFJEIM","inchi_key":"FAKRSMQSSFJEIM-RQJHMYQMSA-N","canonical_smiles":"C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O","pubchem_cid":"44093","MOA":"ACE inhibitor","chembl_id":"CHEMBL1560","molregno":444750,"PubChem_ID":"44093","DrugBank_ID":"DB01197","pref_name":"CAPTOPRIL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1981,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1978,"availability_type":1,"usan_stem":"-apt-; -pril","usan_stem_definition":"aptamers, classical and mirror; antihypertensives (ACE inhibitors)","indication_class":"Enzyme Inhibitor (angiotensin-converting); Antihypertensive","withdrawn_flag":0,"mechanism_of_action":"Angiotensin-converting enzyme inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K63630713","pert_iname":"etacrynic-acid","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"AVOLMBLBETYQHX","inchi_key":"AVOLMBLBETYQHX-UHFFFAOYSA-N","canonical_smiles":"CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl","pubchem_cid":"3278","MOA":"Sodium/potassium/chloride transporter inhibitor","chembl_id":"CHEMBL456","molregno":2654,"PubChem_ID":"3278","DrugBank_ID":"DB00903","pref_name":"ETHACRYNIC ACID","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1967,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1963,"availability_type":1,"indication_class":"Diuretic","withdrawn_flag":0,"mechanism_of_action":"Sodium-(potassium)-chloride cotransporter 2 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K63671514","pert_iname":"BRD-K63671514","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YJKUDHPPBXQQCK","inchi_key":"YJKUDHPPBXQQCK-RYRKJORJSA-N","canonical_smiles":"COc1ccccc1CNC(=O)C[C@@H]1O[C@@H](CO)[C@@H](NC(=O)CN(C)C)C=C1","pubchem_cid":"54638432"}
{"pert_id":"BRD-K63675182","pert_iname":"triflupromazine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XSCGXQMFQXDFCW","inchi_key":"XSCGXQMFQXDFCW-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F","pubchem_cid":"5568","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL570","molregno":16584,"PubChem_ID":"5568","DrugBank_ID":"DB00508","pref_name":"TRIFLUPROMAZINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1957,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":0,"indication_class":"Antipsychotic","withdrawn_flag":0,"mechanism_of_action":"Dopamine D2 receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K63736853","pert_iname":"acipimox","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DJQOOSBJCLSSEY","inchi_key":"DJQOOSBJCLSSEY-UHFFFAOYSA-N","canonical_smiles":"Cc1cnc(c[n+]1[O-])C(O)=O","pubchem_cid":"5310993","chembl_id":"CHEMBL345714","molregno":255548,"PubChem_ID":"5310993","DrugBank_ID":"DB09055","pref_name":"ACIPIMOX","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-1,"withdrawn_flag":0,"mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Acipimox is a hypolipidemic agent. It has special application for the treatment of hyperlipidemia in non-insulin-dependent diabetic patients. Acipimox acts on the niacin receptor 1, inhibiting the enzyme triglyceride lipase. This reduces the concentration of fatty acids in the blood plasma and their inflow into the liver. Consequently, VLDL cholesterol production in the liver is reduced, which leads indirectly to a reduction in LDL and increase in HDL cholesterol (Wikipedia)."}
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{"pert_id":"BRD-K68191783","pert_iname":"ALW-II-38-3","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IYUFHBXMTTXZBE","inchi_key":"IYUFHBXMTTXZBE-UHFFFAOYSA-N","canonical_smiles":"Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(NC(=O)c2ccno2)c1","pubchem_cid":"24880028","MOA":"Ephrin inhibitor"}
{"pert_id":"BRD-K68205606","pert_iname":"BRD-K68205606","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UOHQMYXKCBJNRU","inchi_key":"UOHQMYXKCBJNRU-ZYLNGJIFSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccc(F)c2)Oc3ncc(C#CCN(C)C)cc3C1=O","pubchem_cid":"60185638"}
{"pert_id":"BRD-K68211814","pert_iname":"BRD-K68211814","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HWTLLAZAXGMWGF","inchi_key":"HWTLLAZAXGMWGF-VDKIKQQVSA-N","canonical_smiles":"CCCNC(=O)N1C[C@@H]2[C@H]([C@@H](CO)N2C(=O)C1)c1ccc(cc1)C#Cc1cccc(OC)c1","pubchem_cid":"60190998"}
{"pert_id":"BRD-K68223173","pert_iname":"BRD-K68223173","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MFCRMRKWXJKHGD","inchi_key":"MFCRMRKWXJKHGD-IBGZPJMESA-N","canonical_smiles":"COc1ccc2c3c([C@H](CO)NC[C@]33CN(Cc4ccc(F)cc4)C3)n(C)c2c1","pubchem_cid":"60189946"}
{"pert_id":"BRD-K68253248","pert_iname":"BRD-K68253248","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UVSCGJDGVAXROK","inchi_key":"UVSCGJDGVAXROK-INRPXOMJSA-N","canonical_smiles":"COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N(C[C@@H]2C)[C@H](C)CO)cc1","pubchem_cid":"44504736"}
{"pert_id":"BRD-K68264559","pert_iname":"brimonidine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XYLJNLCSTIOKRM","inchi_key":"XYLJNLCSTIOKRM-UHFFFAOYSA-N","canonical_smiles":"Brc1c(NC2=NCCN2)ccc2nccnc12","pubchem_cid":"2435","MOA":"Adrenergic receptor agonist","chembl_id":"CHEMBL844","molregno":62817,"PubChem_ID":"2435","DrugBank_ID":"DB00484","pref_name":"BRIMONIDINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1996,"oral":0,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1991,"availability_type":1,"indication_class":"Adrenergic (ophthalmic)","withdrawn_flag":0}
{"pert_id":"BRD-K68313733","pert_iname":"BRD-K68313733","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QQPZDSQLEDTJRI","inchi_key":"QQPZDSQLEDTJRI-UHFFFAOYSA-N","canonical_smiles":"ClCC(=O)N(Cc1ccccc1OCC=C)c2ccc3OCOc3c2","pubchem_cid":"2449454","chembl_id":"CHEMBL1469676","molregno":893560,"PubChem_ID":"2449454","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68315360","pert_iname":"BRD-K68315360","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WFHCWVTWIFSLHF","inchi_key":"WFHCWVTWIFSLHF-TYPXCFOJSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCOCC2)Oc3cc(C#Cc4ccccc4F)ccc3S1(=O)=O","pubchem_cid":"54620037"}
{"pert_id":"BRD-K68319707","pert_iname":"BRD-K68319707","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HICHWNNNCJDVID","inchi_key":"HICHWNNNCJDVID-PZNASWHRSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O","pubchem_cid":"44618781"}
{"pert_id":"BRD-K68326515","pert_iname":"BRD-K68326515","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XQVZVPLVZQHPJK","inchi_key":"XQVZVPLVZQHPJK-JFTQGMRCSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4c(C)noc4C)cc3C1=O","pubchem_cid":"44503616","chembl_id":"CHEMBL2132054","molregno":1404005,"PubChem_ID":"44503616","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68332390","pert_iname":"ponalrestat","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LKBFFDOJUKLQNY","inchi_key":"LKBFFDOJUKLQNY-UHFFFAOYSA-N","canonical_smiles":"OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c3ccccc13","pubchem_cid":"5278","MOA":"Aldose reductase inhibitor","chembl_id":"CHEMBL7679","molregno":2124,"PubChem_ID":"5278","pref_name":"PONALRESTAT","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1988,"usan_stem":"-nal-; -stat","usan_stem_definition":"narcotic agonists/antagonists (normorphine type); enzyme inhibitors: aldose-reductase inhibitors","indication_class":"Inhibitor (aldose reductase)","withdrawn_flag":0}
{"pert_id":"BRD-K68336408","pert_iname":"tyrphostin-AG-1478","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GFNNBHLJANVSQV","inchi_key":"GFNNBHLJANVSQV-UHFFFAOYSA-N","canonical_smiles":"COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC","pubchem_cid":"2051","MOA":"EGFR inhibitor","chembl_id":"CHEMBL7917","molregno":2866,"PubChem_ID":"2051","pref_name":"TYRPHOSTIN AG-1478","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68341547","pert_iname":"W-9","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WAEIMOCPASQBSR","inchi_key":"WAEIMOCPASQBSR-UHFFFAOYSA-N","canonical_smiles":"NCCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1","pubchem_cid":"4306","MOA":"Calmodulin antagonist","chembl_id":"CHEMBL1591209","molregno":1015093,"PubChem_ID":"4306","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68344511","pert_iname":"KM-03472SC","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WNYPDLONIZAAOA","inchi_key":"WNYPDLONIZAAOA-UHFFFAOYSA-N","canonical_smiles":"Nc1c(C#N)sc2sc(C#N)c(c3ccco3)c12","pubchem_cid":"2820134"}
{"pert_id":"BRD-K68392338","pert_iname":"ZK-93426","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VMDUABMKBUKKPG","inchi_key":"VMDUABMKBUKKPG-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)c1ncc2[nH]c3cccc(OC(C)C)c3c2c1C","pubchem_cid":"115210","MOA":"Benzodiazepine receptor antagonist","chembl_id":"CHEMBL1271047","molregno":710295,"PubChem_ID":"115210","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68402494","pert_iname":"ML-9","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OZSMSRIUUDGTEP","inchi_key":"OZSMSRIUUDGTEP-UHFFFAOYSA-N","canonical_smiles":"Clc1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1","pubchem_cid":"108047","MOA":"Myosin light chain kinase inhibitor","chembl_id":"CHEMBL1257075","molregno":706070,"PubChem_ID":"108047","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68407802","pert_iname":"KIN001-055","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YVCXQRVVNQMZEI","inchi_key":"YVCXQRVVNQMZEI-UHFFFAOYSA-N","canonical_smiles":"COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC","pubchem_cid":"3796","MOA":"EGFR inhibitor; JAK inhibitor; Leukotriene inhibitor; Mediator release inhibitor","chembl_id":"CHEMBL421942","molregno":241869,"PubChem_ID":"3796","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68437527","pert_iname":"EMF-BCA1-60","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NPOUMSIYVDQJDX","inchi_key":"NPOUMSIYVDQJDX-DGIFUFQNSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C1=O","pubchem_cid":"44492462","chembl_id":"CHEMBL1898994","molregno":1239565,"PubChem_ID":"44492462","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68488863","pert_iname":"ENMD-2076","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BLQYVHBZHAISJM","inchi_key":"BLQYVHBZHAISJM-CMDGGOBGSA-N","canonical_smiles":"CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(\\C=C\\c2ccccc2)n1","pubchem_cid":"16041424","MOA":"Aurora kinase inhibitor; FLT3 inhibitor; VEGFR inhibitor","chembl_id":"CHEMBL482968","molregno":520121,"PubChem_ID":"16041424","pref_name":"ENMD-2076","max_phase":2,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0,"mechanism_of_action":"Fibroblast growth factor receptor 3 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Tartrate salt of ENMD-981693"}
{"pert_id":"BRD-K68495126","pert_iname":"BRD-K68495126","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZJCRSXLZUQPWCS","inchi_key":"ZJCRSXLZUQPWCS-UHFFFAOYSA-N","canonical_smiles":"O=C(OCC#CCSc1nnc(o1)c2cccc3ccccc23)c4cc5ccccc5o4","pubchem_cid":"2017368","chembl_id":"CHEMBL1270705","molregno":709950,"PubChem_ID":"2017368","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68504618","pert_iname":"BRD-K68504618","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YCZDHCVCWSKGTE","inchi_key":"YCZDHCVCWSKGTE-AHNRGXKQSA-N","canonical_smiles":"COc1ccccc1CNC(=O)C[C@@H]2C[C@@H]3[C@@H](Oc4ccc(NC(=O)CN(C)C)cc34)[C@H](CO)O2","pubchem_cid":"54646673"}
{"pert_id":"BRD-K68507560","pert_iname":"dicycloverine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CURUTKGFNZGFSE","inchi_key":"CURUTKGFNZGFSE-UHFFFAOYSA-N","canonical_smiles":"CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1","pubchem_cid":"3042","MOA":"Acetylcholine receptor antagonist","chembl_id":"CHEMBL1123","molregno":165774,"PubChem_ID":"3042","DrugBank_ID":"DB00804","pref_name":"DICYCLOMINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1950,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"indication_class":"Anticholinergic","withdrawn_flag":0}
{"pert_id":"BRD-K68535470","pert_iname":"STK-222600","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HJVFVAZFMFYABI","inchi_key":"HJVFVAZFMFYABI-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccccn1","pubchem_cid":"870371","chembl_id":"CHEMBL1822283","molregno":1172362,"PubChem_ID":"870371","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68538666","pert_iname":"aceclofenac","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MNIPYSSQXLZQLJ","inchi_key":"MNIPYSSQXLZQLJ-UHFFFAOYSA-N","canonical_smiles":"OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl","pubchem_cid":"71771","chembl_id":"CHEMBL93645","molregno":150585,"PubChem_ID":"71771","DrugBank_ID":"DB06736","pref_name":"ACECLOFENAC","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-1,"usan_stem":"-ac","usan_stem_definition":"anti-inflammatory agents (acetic acid derivatives)","withdrawn_flag":0,"mechanism_of_action":"Cyclooxygenase-2 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Aceclofenac works by inhibiting the action of cyclooxygenase 2 (with minimal inhibition of COX1) involved in the production of prostaglandins which is accountable for pain, swelling, inflammation and fever. Aceclofenac has shown stimulatory effects on cartilage matrix synthesis that may be linked to the ability of the drug to inhibit the suppression by IL-1β of various growth factors.","selectivity_comment":"Data from human whole blood assays show inhibition of COX-2 (with minimal effects on COX-1) by both the parent compound and 4′-hydroxyaceclofenac: IC50 values for COX-1 and COX-2, respectively, were >100 and 0.8 for aceclofenac and >100 and 36 for 4′- hydroxyaceclofenac."}
{"pert_id":"BRD-K68541237","pert_iname":"BRD-K68541237","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DPPRDHUULHYEIR","inchi_key":"DPPRDHUULHYEIR-MPCDZSKCSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc3cc(ccc3S1(=O)=O)c4ccc(C#N)cc4","pubchem_cid":"54626408"}
{"pert_id":"BRD-K68552125","pert_iname":"phorbol-myristate-acetate","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PHEDXBVPIONUQT","inchi_key":"PHEDXBVPIONUQT-RGYGYFBISA-N","canonical_smiles":"CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O","pubchem_cid":"27924","chembl_id":"CHEMBL279115","molregno":128763,"PubChem_ID":"27924","pref_name":"PHORBOL MYRISTATE ACETATE","max_phase":2,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-bol; -stat-","usan_stem_definition":"anabolic steroids; enzyme inhibitors","withdrawn_flag":0}
{"pert_id":"BRD-K68553471","pert_iname":"todralazine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WGZDBVOTUVNQFP","inchi_key":"WGZDBVOTUVNQFP-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)NNc1nncc2ccccc12","pubchem_cid":"5501","chembl_id":"CHEMBL1079787","molregno":611682,"PubChem_ID":"5501","pref_name":"TODRALAZINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-dralazine","usan_stem_definition":"antihypertensives (hydrazine-phthalazines)","withdrawn_flag":0}
{"pert_id":"BRD-K68558722","pert_iname":"deracoxib","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WAZQAZKAZLXFMK","inchi_key":"WAZQAZKAZLXFMK-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F","pubchem_cid":"3058754","MOA":"Cyclooxygenase inhibitor","chembl_id":"CHEMBL28636","molregno":38985,"PubChem_ID":"3058754","DrugBank_ID":"DB11395","pref_name":"DERACOXIB","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1998,"usan_stem":"-coxib","usan_stem_definition":"cyclooxygenase-2 inhibitors","withdrawn_flag":0}
{"pert_id":"BRD-K68584490","pert_iname":"butyrolactone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SRQUTZJZABSZRQ","inchi_key":"SRQUTZJZABSZRQ-NKWVEPMBSA-N","canonical_smiles":"CCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O","pubchem_cid":"10081070","chembl_id":"CHEMBL3347571","molregno":1797003,"PubChem_ID":"10081070","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68588778","pert_iname":"BRD-K68588778","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RECJWNWZVDPHTR","inchi_key":"RECJWNWZVDPHTR-UHFFFAOYSA-N","canonical_smiles":"Cc1c(C=O)c(C=O)c(C)n1Cc2ccccc2","pubchem_cid":"800760","chembl_id":"CHEMBL1613055","molregno":1036939,"PubChem_ID":"800760","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68594214","pert_iname":"BRD-K68594214","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZESLDEAOZVJGQU","inchi_key":"ZESLDEAOZVJGQU-YHYXMXQVSA-N","canonical_smiles":"OC(=O)CCN1C(=S)S\\C(=C/c2ccc(F)cc2F)C1=O","pubchem_cid":"49835913","chembl_id":"CHEMBL1732818","molregno":1113549,"PubChem_ID":"49835913","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68633617","pert_iname":"ACDPP","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RNGRUHWJJPTYNR","inchi_key":"RNGRUHWJJPTYNR-UHFFFAOYSA-N","canonical_smiles":"CN(C)c1nc(N)c(nc1Cl)C(=O)Nc1cccnc1","pubchem_cid":"16759169","chembl_id":"CHEMBL1616372","molregno":1039323,"PubChem_ID":"16759169","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68645163","pert_iname":"SA-1463838","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HJSUWZUIIQDZFE","inchi_key":"HJSUWZUIIQDZFE-GFGLBCFSSA-N","canonical_smiles":"CN1[C@H]2CC[C@@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)O[C@H]2COc2ccc(NC(=O)c3cnccn3)cc2C1=O","pubchem_cid":"54654613"}
{"pert_id":"BRD-K68672034","pert_iname":"BRD-K68672034","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QSEJYNGOCYTBNI","inchi_key":"QSEJYNGOCYTBNI-LZCXECNNSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccn2)Oc3cc(ccc3S1(=O)=O)C4=CCCCC4","pubchem_cid":"54630683"}
{"pert_id":"BRD-K68682056","pert_iname":"BRD-K68682056","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IUZUJTQXZTXMFN","inchi_key":"IUZUJTQXZTXMFN-UKHYVGRKSA-N","canonical_smiles":"CN(C)C(=O)C[C@H]1C[C@@H]2[C@@H](Oc3ccc(NC(=O)c4cccnc4)cc23)[C@@H](CO)O1","pubchem_cid":"54646006"}
{"pert_id":"BRD-K68689263","pert_iname":"BRD-K68689263","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NZHWHUJBRQKMJV","inchi_key":"NZHWHUJBRQKMJV-BOSRLCDASA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC2)Oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C1=O","pubchem_cid":"44491852"}
{"pert_id":"BRD-K68690198","pert_iname":"BRD-K68690198","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ANNRRBNONSWPEH","inchi_key":"ANNRRBNONSWPEH-REYAJUCUSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc4c(NC(=O)NC5CCCCC5)cccc4C1=O","pubchem_cid":"54631247"}
{"pert_id":"BRD-K68702347","pert_iname":"SA-1457992","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VNKPIXQPVYVBER","inchi_key":"VNKPIXQPVYVBER-XNISGKROSA-N","canonical_smiles":"CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2S(=O)(=O)c2ccccc2Cl)O1","pubchem_cid":"54658844"}
{"pert_id":"BRD-K68749296","pert_iname":"SA-1456195","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JDHZCDHPHAWVKT","inchi_key":"JDHZCDHPHAWVKT-TWMKSMIVSA-N","canonical_smiles":"CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccncc2)O1","pubchem_cid":"54657953"}
{"pert_id":"BRD-K68756823","pert_iname":"FR-180204","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XVECMUKVOMUNLE","inchi_key":"XVECMUKVOMUNLE-UHFFFAOYSA-N","canonical_smiles":"Nc1[nH]nc2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1","pubchem_cid":"53338808"}
{"pert_id":"BRD-K68765796","pert_iname":"SA-1944378","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JXPVOOMRKPVBDG","inchi_key":"JXPVOOMRKPVBDG-IZPIQJOWSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)C2CCCCC2)OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C1=O","pubchem_cid":"44483939"}
{"pert_id":"BRD-K68783079","pert_iname":"BRD-K68783079","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LELRIWOVACJYND","inchi_key":"LELRIWOVACJYND-UHFFFAOYSA-N","canonical_smiles":"Cc1nc(CNc2ncnc3ccc(cc23)-c2ccc3OCOc3c2)cs1","pubchem_cid":"60138079"}
{"pert_id":"BRD-K68826049","pert_iname":"BRD-K68826049","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IQOHQKZRPPEHQS","inchi_key":"IQOHQKZRPPEHQS-ZDUSSCGKSA-N","canonical_smiles":"C[C@H]1CN(CCN1S(=O)(=O)c2ccc3OCCOc3c2)S(=O)(=O)c4c(F)cccc4F","pubchem_cid":"25243735","chembl_id":"CHEMBL1093361","molregno":620289,"PubChem_ID":"25243735","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68833544","pert_iname":"BRD-K68833544","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DXDDWXHNWRDUCF","inchi_key":"DXDDWXHNWRDUCF-UHFFFAOYSA-N","canonical_smiles":"CCCN1CNc2c(C1)c(=O)[nH]c(=S)n2CCc1cccc(Cl)c1Cl","pubchem_cid":"44246394","chembl_id":"CHEMBL1088561","molregno":629176,"PubChem_ID":"44246394","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68863575","pert_iname":"BRD-K68863575","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FQQVFIQHLGMGEM","inchi_key":"FQQVFIQHLGMGEM-UHFFFAOYSA-N","canonical_smiles":"OC(c1ccc(NS(=O)(=O)c2ccc(s2)S(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F","pubchem_cid":"44241444"}
{"pert_id":"BRD-K68866125","pert_iname":"BRD-K68866125","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JJSOSKRBXNHEPE","inchi_key":"JJSOSKRBXNHEPE-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc2[nH]/c(=N\\C(=O)C(C)(C)C)/sc2c1","pubchem_cid":"3290072"}
{"pert_id":"BRD-K68867920","pert_iname":"quetiapine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"URKOMYMAXPYINW","inchi_key":"URKOMYMAXPYINW-UHFFFAOYSA-N","canonical_smiles":"OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12","pubchem_cid":"5002","MOA":"Dopamine receptor antagonist; Serotonin receptor antagonist","chembl_id":"CHEMBL716","molregno":34234,"PubChem_ID":"5002","DrugBank_ID":"DB01224","pref_name":"QUETIAPINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1997,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1996,"availability_type":1,"usan_stem":"-tiapine","usan_stem_definition":"antipsychotics (dibenzothiazepine derivatives)","indication_class":"Antipsychotic","withdrawn_flag":0}
{"pert_id":"BRD-K68873215","pert_iname":"phosphodiesterase-V-inhibitor-II","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XWBJKKIHTRCECR","inchi_key":"XWBJKKIHTRCECR-IRLDBZIGSA-N","canonical_smiles":"CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](N2C1=O)c5ccc(OC)cc5","pubchem_cid":"11003969","MOA":"Phosphodiesterase inhibitor","chembl_id":"CHEMBL337587","molregno":231989,"PubChem_ID":"11003969","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K68937023","pert_iname":"BRD-K68937023","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SSDPHNXAXFTDFA","inchi_key":"SSDPHNXAXFTDFA-DOKVQHETSA-N","canonical_smiles":"COc1ccc(NC(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N(C[C@@H]2C)[C@H](C)CO)cc1","pubchem_cid":"44501811"}
{"pert_id":"BRD-K68971353","pert_iname":"BRD-K68971353","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OQZRXDCUCVSQCZ","inchi_key":"OQZRXDCUCVSQCZ-VAMGGRTRSA-N","canonical_smiles":"OC[C@H]1N[C@H](CNC(=O)C2CCC2)[C@H]1c1ccc(cc1)C1=CCCC1","pubchem_cid":"60192959"}
{"pert_id":"BRD-K68997413","pert_iname":"PF-3845","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NBOJHRYUGLRASX","inchi_key":"NBOJHRYUGLRASX-UHFFFAOYSA-N","canonical_smiles":"FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)nc1","pubchem_cid":"25154867","MOA":"FAAH inhibitor","chembl_id":"CHEMBL1651524","molregno":1063948,"PubChem_ID":"25154867","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K69003436","pert_iname":"BRD-K69003436","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IKNHZQAKBKLGMT","inchi_key":"IKNHZQAKBKLGMT-UHFFFAOYSA-N","canonical_smiles":"O=C(Cn1nnc2sc3CCCCc3c2c1=O)NCc4ccco4","pubchem_cid":"733669"}
{"pert_id":"BRD-K69021489","pert_iname":"BRD-K69021489","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BISFDMSYVJMUON","inchi_key":"BISFDMSYVJMUON-QQMNAOGKSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2c(C)noc2C)Oc3c(NC(=O)c4nc5ccccc5s4)cccc3C1=O","pubchem_cid":"44488070"}
{"pert_id":"BRD-K69032158","pert_iname":"diprotin-a","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JNTMAZFVYNDPLB","inchi_key":"JNTMAZFVYNDPLB-PEDHHIEDSA-N","canonical_smiles":"CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O","pubchem_cid":"94701","MOA":"Dipeptidyl peptidase inhibitor"}
{"pert_id":"BRD-K69040870","pert_iname":"BRD-K69040870","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OLEGCAPACSSNFZ","inchi_key":"OLEGCAPACSSNFZ-NJDAHSKKSA-N","canonical_smiles":"CCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(cc1)-c1cccnc1)C(C)=O","pubchem_cid":"54651449"}
{"pert_id":"BRD-K69075782","pert_iname":"BRD-K69075782","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WPXBDGFNEBLHLG","inchi_key":"WPXBDGFNEBLHLG-BTVLFMTNSA-N","canonical_smiles":"C\\C=C\\c1ccc(cc1)[C@H]1[C@H](CO)N([C@H]1CN(C)C(=O)c1ccccn1)C(C)=O","pubchem_cid":"54651411"}
{"pert_id":"BRD-K69096174","pert_iname":"BRD-K69096174","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KJZOGGIMPWHLRO","inchi_key":"KJZOGGIMPWHLRO-UYXZNNOOSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc3ncc(cc3C1=O)c4ccc(C#N)cc4","pubchem_cid":"54618368"}
{"pert_id":"BRD-K69097969","pert_iname":"VU-0418939-2","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SKLXOVZCZWTTRY","inchi_key":"SKLXOVZCZWTTRY-UHFFFAOYSA-N","canonical_smiles":"CC(C)(C)c1ccc(CNc2nc(nnc2-c2ccccc2)-c2ccccn2)cc1","pubchem_cid":"46742345","chembl_id":"CHEMBL2138065","molregno":1410016,"PubChem_ID":"46742345","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K69116396","pert_iname":"sertindole","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GZKLJWGUPQBVJQ","inchi_key":"GZKLJWGUPQBVJQ-UHFFFAOYSA-N","canonical_smiles":"Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12","pubchem_cid":"60149","chembl_id":"CHEMBL12713","molregno":10813,"PubChem_ID":"60149","DrugBank_ID":"DB06144","pref_name":"SERTINDOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1992,"availability_type":-2,"indication_class":"Antipsychotic; Neuroleptic","withdrawn_flag":1,"withdrawn_year":1998,"withdrawn_country":"United Kingdom; Germany; Italy; Ireland; Netherlands; European Union","withdrawn_reason":"Arrhythmias and Sudden Cardiac Death (Arrhythmias and Sudden)","withdrawn_class":"Cardiotoxicity","mechanism_of_action":"Adrenergic receptor alpha-1 antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Sertindole was developed as an antipsychotic drug. It is a potent antagonist at dopamine D2, serotonin 5-HT2, and α1-adrenergic receptors with high affinity. Additionally, Sertindole suppresses potassium channel in the brain and heart. It also induces both autophagy and ROS generation in neuroblastoma cells.","selectivity_comment":"It has high affinity for dopamine D2, serotonin 5-HT2, and α1-adrenergic receptors."}
{"pert_id":"BRD-K69122748","pert_iname":"diacerein","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"TYNLGDBUJLVSMA","inchi_key":"TYNLGDBUJLVSMA-UHFFFAOYSA-N","canonical_smiles":"CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O","pubchem_cid":"26248","chembl_id":"CHEMBL41286","molregno":61717,"PubChem_ID":"26248","DrugBank_ID":"DB11994","pref_name":"DIACEREIN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2018,"availability_type":-1,"withdrawn_flag":0,"mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Diacerein is a prodrug that is metabolized to rhein. It is a symptomatic slow-acting drug in osteoarthritis (SYSADOA) with anti-inflammatory, anti-catabolic and pro-anabolic properties on cartilage and synovial membrane. It has also been shown to have protective effects against subchondral bone remodelling. The principal mechanism of action of diacerein is to inhibit the interleukin-1 beta (IL-1beta) system and related downstream signalling. Diacerein has been shown to impact the activation of IL-1beta via a reduced production of IL-1 converting enzyme, as well as to affect the sensitivity to IL-1 by decreasing IL-1 receptor levels on the cell surface of chondrocytes and by indirectly increasing IL-1 receptor antagonist production."}
{"pert_id":"BRD-K69159985","pert_iname":"BRD-K69159985","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ANNRRBNONSWPEH","inchi_key":"ANNRRBNONSWPEH-YPMZNXIVSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc4c(NC(=O)NC5CCCCC5)cccc4C1=O","pubchem_cid":"44499548"}
{"pert_id":"BRD-K69181860","pert_iname":"ARG-CSC-91","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MTLJBAFNMHPGBV","inchi_key":"MTLJBAFNMHPGBV-BQYQJAHWSA-N","canonical_smiles":"CCc1ccc(cc1)\\C=C\\C(=O)NC1=NCCS1","pubchem_cid":"50910523","chembl_id":"CHEMBL2391903","molregno":1565479,"PubChem_ID":"50910523","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K69195780","pert_iname":"NAN-190","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"SJDOMIRMMUGQQK","inchi_key":"SJDOMIRMMUGQQK-UHFFFAOYSA-N","canonical_smiles":"COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1","pubchem_cid":"4431","MOA":"Serotonin receptor agonist","chembl_id":"CHEMBL8618","molregno":4181,"PubChem_ID":"4431","pref_name":"NAN-190","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K69218883","pert_iname":"BRD-K69218883","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RCIJUMNSSGEJFF","inchi_key":"RCIJUMNSSGEJFF-FVJLSDCUSA-N","canonical_smiles":"CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(cc2CC(=O)N(C[C@@H]1C)[C@H](C)CO)N(C)C","pubchem_cid":"44488642"}
{"pert_id":"BRD-K69231968","pert_iname":"BRD-K69231968","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WBKCHECFGLABAB","inchi_key":"WBKCHECFGLABAB-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)N1CCC(CC1)NCCNC(=O)c2ccc(F)c(F)c2","pubchem_cid":"56643186","chembl_id":"CHEMBL3211501","molregno":1700792,"PubChem_ID":"56643186","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K69236395","pert_iname":"BRD-K69236395","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SDGCQQLHBMCMJM","inchi_key":"SDGCQQLHBMCMJM-AREMUKBSSA-N","canonical_smiles":"COc1ccc(cc1)S(=O)(=O)N1C[C@@]2(C1)CN(Cc1ccccc1OC)[C@H](CO)c1[nH]c3cc(OC)ccc3c21","pubchem_cid":"60190515"}
{"pert_id":"BRD-K69241845","pert_iname":"IM-12","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZKJAZFUFPPSFCO","inchi_key":"ZKJAZFUFPPSFCO-UHFFFAOYSA-N","canonical_smiles":"CN1C(=O)C(NCCc2ccc(F)cc2)=C(C1=O)c1c(C)[nH]c2ccccc12","pubchem_cid":"25209788","chembl_id":"CHEMBL1254896","molregno":704364,"PubChem_ID":"25209788","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K69260336","pert_iname":"pivampicillin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZEMIJUDPLILVNQ","inchi_key":"ZEMIJUDPLILVNQ-BSXFFOKHSA-N","canonical_smiles":"CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O","pubchem_cid":"73707476"}
{"pert_id":"BRD-K69286267","pert_iname":"BRD-K69286267","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RRTIWHGSFRWPSK","inchi_key":"RRTIWHGSFRWPSK-IEOSBIPESA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(F)(F)F)Oc3ccc(NC(=O)Nc4ccccc4)cc3CC1=O","pubchem_cid":"44503471"}
{"pert_id":"BRD-K69295800","pert_iname":"BRD-K69295800","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MYLZFEJTJGFFCG","inchi_key":"MYLZFEJTJGFFCG-GNBJCERTSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc4ccc(NS(=O)(=O)C)cc4C1=O","pubchem_cid":"44616949"}
{"pert_id":"BRD-K69304050","pert_iname":"BRD-K69304050","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZRBJORGEGBDMJS","inchi_key":"ZRBJORGEGBDMJS-UHFFFAOYSA-N","canonical_smiles":"FC(F)(F)c1cccc(c1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3","pubchem_cid":"25243777","chembl_id":"CHEMBL1094007","molregno":619730,"PubChem_ID":"25243777","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K69328504","pert_iname":"L-690488","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LOTSPVPQHAUHCE","inchi_key":"LOTSPVPQHAUHCE-UHFFFAOYSA-N","canonical_smiles":"CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(C)(Oc1ccc(O)cc1)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C","pubchem_cid":"5132514","MOA":"Inositol monophosphatase inhibitor","chembl_id":"CHEMBL1356422","molregno":780306,"PubChem_ID":"5132514","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K70977695","pert_iname":"BRD-K70977695","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SWQTVRHLJBLDEB","inchi_key":"SWQTVRHLJBLDEB-UHFFFAOYSA-N","canonical_smiles":"Cc1cccc(c1)c2ccc3ncnc(NCc4cccs4)c3c2","pubchem_cid":"44142050","chembl_id":"CHEMBL1433941","molregno":857825,"PubChem_ID":"44142050","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K70980943","pert_iname":"BRD-K70980943","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DLYKFPHPBCTAKD","inchi_key":"DLYKFPHPBCTAKD-UHFFFAOYSA-N","canonical_smiles":"COc1ccc2Sc3ccccc3Nc2c1","pubchem_cid":"74490","chembl_id":"CHEMBL64404","molregno":97849,"PubChem_ID":"74490","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K70983703","pert_iname":"BRD-K70983703","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ASLPZONUTGKWLH","inchi_key":"ASLPZONUTGKWLH-SBHAEUEKSA-N","canonical_smiles":"OC[C@@H]1O[C@@H](CCn2cc(nn2)C2CCCCC2)CC[C@H]1NC(=O)CN1CCOCC1","pubchem_cid":"54638338"}
{"pert_id":"BRD-K71003802","pert_iname":"hippeastrine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"DGQPIOQRPAGNGB","inchi_key":"DGQPIOQRPAGNGB-DANNLKNASA-N","canonical_smiles":"CN1CCC2=C[C@H](O)[C@H]3OC(=O)c4cc5OCOc5cc4[C@H]3[C@H]12","pubchem_cid":"441594","MOA":"Plant alkaloid","chembl_id":"CHEMBL457606","molregno":505281,"PubChem_ID":"441594","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K71004332","pert_iname":"BRD-K71004332","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UEIRNIQKIBOUIF","inchi_key":"UEIRNIQKIBOUIF-ZYLNGJIFSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccn2)Oc3cc(ccc3S1(=O)=O)C4=CCCC4","pubchem_cid":"54618335"}
{"pert_id":"BRD-K71006572","pert_iname":"BRD-K71006572","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YYTHOJUCWCOVJK","inchi_key":"YYTHOJUCWCOVJK-VHSZZVNMSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCCCC2)Oc3ncc(C#CC4CCCCC4)cc3C1=O","pubchem_cid":"54631158"}
{"pert_id":"BRD-K71013094","pert_iname":"neomycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PGBHMTALBVVCIT","inchi_key":"PGBHMTALBVVCIT-VCIWKGPPSA-N","canonical_smiles":"NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O","pubchem_cid":"8378","chembl_id":"CHEMBL184618","molregno":312304,"PubChem_ID":"8378","DrugBank_ID":"DB00452","pref_name":"FRAMYCETIN","max_phase":3,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"indication_class":"Antibacterial,Antifungal; Antibacterial","withdrawn_flag":0}
{"pert_id":"BRD-K71029018","pert_iname":"BRD-K71029018","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ARPUBVQDXLSATJ","inchi_key":"ARPUBVQDXLSATJ-UHFFFAOYSA-N","canonical_smiles":"CC(=O)NCCCNC(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1","pubchem_cid":"44820564","chembl_id":"CHEMBL1393958","molregno":817842,"PubChem_ID":"44820564","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K71032892","pert_iname":"BRD-K71032892","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GXGOFMFIUNYHNH","inchi_key":"GXGOFMFIUNYHNH-LZJOCLMNSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(ccc2S1(=O)=O)C3=CCCCC3","pubchem_cid":"54628895"}
{"pert_id":"BRD-K71035033","pert_iname":"masitinib","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WJEOLQLKVOPQFV","inchi_key":"WJEOLQLKVOPQFV-UHFFFAOYSA-N","canonical_smiles":"CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1","pubchem_cid":"10074640","MOA":"KIT inhibitor; PDGFR receptor inhibitor; SRC inhibitor","chembl_id":"CHEMBL1908391","molregno":1248752,"PubChem_ID":"10074640","DrugBank_ID":"DB11526","pref_name":"MASITINIB","max_phase":3,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"-tinib","usan_stem_definition":"tyrosine kinase inhibitors","withdrawn_flag":0,"mechanism_of_action":"Fibroblast growth factor receptor 3 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Approved veterinary - 2012. Not recommended for approval (Negative opinion) in EU, phase 3 trials in US."}
{"pert_id":"BRD-K71053953","pert_iname":"SA-1921996","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OLVQWYVGUXLOFL","inchi_key":"OLVQWYVGUXLOFL-TWLDFKIOSA-N","canonical_smiles":"OC[C@H]1[C@@H]([C@@H]2CN(CCCCN12)C(=O)Cc1ccccc1)c1ccc(cc1)-c1ccc(cc1)C#N","pubchem_cid":"54666820"}
{"pert_id":"BRD-K71055333","pert_iname":"etamsylate","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IKQCSJBQLWJEPU","inchi_key":"IKQCSJBQLWJEPU-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc(O)c(c1)S(O)(=O)=O","pubchem_cid":"23672329"}
{"pert_id":"BRD-K71059148","pert_iname":"BRD-K71059148","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PQGYKYWXFAJTLI","inchi_key":"PQGYKYWXFAJTLI-XMERXJNXSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2F)Oc3cc(ccc3S1(=O)=O)C4=CCCC4","pubchem_cid":"54630618"}
{"pert_id":"BRD-K71075093","pert_iname":"pempidine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XULIXFLCVXWHRF","inchi_key":"XULIXFLCVXWHRF-UHFFFAOYSA-N","canonical_smiles":"CN1C(C)(C)CCCC1(C)C","pubchem_cid":"6419918","chembl_id":"CHEMBL1256139","molregno":705123,"PubChem_ID":"6419918","pref_name":"PEMPIDINE TARTRATE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K71103788","pert_iname":"duloxetine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZEUITGRIYCTCEM","inchi_key":"ZEUITGRIYCTCEM-KRWDZBQOSA-N","canonical_smiles":"CNCC[C@H](Oc1cccc2ccccc12)c1cccs1","pubchem_cid":"60835","MOA":"Norepinephrine reuptake inhibitor; Serotonin reuptake inhibitor","chembl_id":"CHEMBL1175","molregno":192908,"PubChem_ID":"60835","DrugBank_ID":"DB00476","pref_name":"DULOXETINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2004,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1992,"availability_type":1,"usan_stem":"-oxetine","usan_stem_definition":"antidepressants (fluoxetine type)","indication_class":"Antidepressant","withdrawn_flag":0}
{"pert_id":"BRD-K71125014","pert_iname":"sulfadimethoxine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZZORFUFYDOWNEF","inchi_key":"ZZORFUFYDOWNEF-UHFFFAOYSA-N","canonical_smiles":"COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1","pubchem_cid":"5323","chembl_id":"CHEMBL62193","molregno":93930,"PubChem_ID":"5323","DrugBank_ID":"DB06150","pref_name":"SULFADIMETHOXINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"availability_type":-2,"usan_stem":"sulfa-","usan_stem_definition":"antimicrobials (sulfonamides derivatives)","withdrawn_flag":1,"withdrawn_country":"United States","mechanism_of_action":"Bacterial dihydropteroate synthase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Bacteria and some protozoa are unable to obtain folic acid from the environment, and must synthesize it by converting PABA (para-aminobenzoate) to dihydropteroate using the enzyme dihydropteroate synthase. Sulfadimethoxine, being structurally similar to PABA, acts as a competitive inhibitor. It binds to the enzyme's active site and prevents the synthesis of folic acid from progressing. Folic acid is necessary for these organisms to produce nucleic acids, which are required for cell division. Thus, it has a microbiostatic effect rather than a microbiocidal one, and has the strongest effect in the beginning stages of an infection, when the pathogen is rapidly dividing."}
{"pert_id":"BRD-K71133585","pert_iname":"sulfaquinoxaline","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NHZLNPMOSADWGC","inchi_key":"NHZLNPMOSADWGC-UHFFFAOYSA-N","canonical_smiles":"Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1","pubchem_cid":"5338","chembl_id":"CHEMBL1437847","molregno":861731,"PubChem_ID":"5338","DrugBank_ID":"DB11464","pref_name":"SULFAQUINOXALINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_stem":"sulfa-","usan_stem_definition":"antimicrobials (sulfonamides derivatives)","indication_class":"Coccidiostat (veterinary)","withdrawn_flag":0}
{"pert_id":"BRD-K71138616","pert_iname":"BRD-K71138616","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FXIXTIXYCSOXIT","inchi_key":"FXIXTIXYCSOXIT-INEJIFKHSA-N","canonical_smiles":"COc1ccc(cc1)S(=O)(=O)N(C)C[C@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N(C[C@@H]2C)[C@H](C)CO","pubchem_cid":"44483723","chembl_id":"CHEMBL1869437","molregno":1210008,"PubChem_ID":"44483723","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K71140693","pert_iname":"BRD-K71140693","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"STNNXSAIRWJEPA","inchi_key":"STNNXSAIRWJEPA-OKILXGFUSA-N","canonical_smiles":"Fc1cccc(F)c1S(=O)(=O)N[C@H]2CC[C@H](CC2)NS(=O)(=O)c3ccc4OCCOc4c3","pubchem_cid":"25243776"}
{"pert_id":"BRD-K71142328","pert_iname":"BRD-K71142328","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BBRJTTHEZKXCRN","inchi_key":"BBRJTTHEZKXCRN-UHFFFAOYSA-N","canonical_smiles":"C(c1ncco1)n1nc(-c2ccccc2)c2ccccc12","pubchem_cid":"49835836"}
{"pert_id":"BRD-K71151012","pert_iname":"BRD-K71151012","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YDHXSWOLXDIZHC","inchi_key":"YDHXSWOLXDIZHC-CIGBUEHFSA-N","canonical_smiles":"CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)[C@H](CN(C)C(=O)c3cc(ccc3OC[C@H]1O2)C#N)OC","pubchem_cid":"54649529"}
{"pert_id":"BRD-K71154829","pert_iname":"BRD-K71154829","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MIUQLUUYKGWAGV","inchi_key":"MIUQLUUYKGWAGV-PFBJBMPXSA-N","canonical_smiles":"OC[C@@H]1[C@H]([C@H]2CN(CCCCN12)C(=O)Nc1ccccc1F)c1ccc(cc1)C1=CCCCC1","pubchem_cid":"54669567"}
{"pert_id":"BRD-K71169984","pert_iname":"BRD-K71169984","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QWRVEZAHDKBBPK","inchi_key":"QWRVEZAHDKBBPK-UHFFFAOYSA-N","canonical_smiles":"Fc1cccc(F)c1S(=O)(=O)N2CCN(CC2)C(=O)c3ccc4OCCOc4c3","pubchem_cid":"25243729","chembl_id":"CHEMBL1092480","molregno":620067,"PubChem_ID":"25243729","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K71172276","pert_iname":"BRD-K71172276","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FGOMPZIBFLBLGA","inchi_key":"FGOMPZIBFLBLGA-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(Nc2nc(nc(n2)N3CCOCC3)N4CCCC4)cc1","pubchem_cid":"24747245","chembl_id":"CHEMBL1733194","molregno":1113925,"PubChem_ID":"24747245","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K71182391","pert_iname":"BRD-K71182391","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XPTKSQZMFMAYCL","inchi_key":"XPTKSQZMFMAYCL-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(OCCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O","pubchem_cid":"44620891","chembl_id":"CHEMBL1735527","molregno":1116258,"PubChem_ID":"44620891","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K71188711","pert_iname":"BRD-K71188711","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GJYWPGQZJRIMRE","inchi_key":"GJYWPGQZJRIMRE-HKQNKLGGSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc3ccc(NC(=O)CCCCCC(=O)Nc4ccccc4N)cc3CC1=O","pubchem_cid":"44507286","chembl_id":"CHEMBL2134104","molregno":1406055,"PubChem_ID":"44507286","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K71195237","pert_iname":"BRD-K71195237","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LTECXWQWCPQLLD","inchi_key":"LTECXWQWCPQLLD-BURCIIJTSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccc(c2)C(=O)O)OCc3ccccc3-c4c(C1=O)n(C)c5ccccc45","pubchem_cid":"54637914"}
{"pert_id":"BRD-K71199328","pert_iname":"YL-55","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UKQJJDPQNQGHEW","inchi_key":"UKQJJDPQNQGHEW-DLCJFKKRSA-N","canonical_smiles":"CCCC[C@@H]1NC(=O)[C@@](C)(CCC\\C=C/CCC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(C)=O)[C@@H](C)CC","pubchem_cid":"73707439"}
{"pert_id":"BRD-K71240454","pert_iname":"BRD-K71240454","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VTJNXDUZLOWMHH","inchi_key":"VTJNXDUZLOWMHH-TZTMDHJLSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O","pubchem_cid":"44485809"}
{"pert_id":"BRD-K71265179","pert_iname":"BRD-K71265179","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AWZNVFKAFFHLEY","inchi_key":"AWZNVFKAFFHLEY-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(cc1)C(=O)n2c3ccccc3c4ccccc24","pubchem_cid":"576989","chembl_id":"CHEMBL1341100","molregno":764984,"PubChem_ID":"576989","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K71266197","pert_iname":"PSB-06126","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZHQRPIRGSWEALJ","inchi_key":"ZHQRPIRGSWEALJ-UHFFFAOYSA-N","canonical_smiles":"Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc3ccccc23)cc1S(O)(=O)=O","pubchem_cid":"24868313","MOA":"NTPDase inhibitor","chembl_id":"CHEMBL498423","molregno":501217,"PubChem_ID":"24868313","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K71289571","pert_iname":"zafirlukast","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"YEEZWCHGZNKEEK","inchi_key":"YEEZWCHGZNKEEK-UHFFFAOYSA-N","canonical_smiles":"COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C","pubchem_cid":"5717","MOA":"Leukotriene receptor antagonist","chembl_id":"CHEMBL603","molregno":21523,"PubChem_ID":"5717","DrugBank_ID":"DB00549","pref_name":"ZAFIRLUKAST","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1996,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1995,"availability_type":1,"usan_stem":"-ast","usan_stem_definition":"antiasthmatics/antiallergics: leukotriene receptor antagonists","indication_class":"Anti-Asthmatic (leukotriene antagonist)","withdrawn_flag":0,"mechanism_of_action":"Cysteinyl leukotriene receptor 1 antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K71292008","pert_iname":"BRD-K71292008","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RPKCAYXMKKKHRF","inchi_key":"RPKCAYXMKKKHRF-QNUKHDGTSA-N","canonical_smiles":"CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@@H]([C@@H](N2C1=O)c3ccc(O)cc3)C(=O)OCCOc4ccc(cc4)[C@@H]5N6[C@H]([C@H](C(=O)OCC=C)[C@@]57C(=O)Nc8ccccc87)C(=O)O[C@H]([C@H]6c9ccccc9)c%10ccccc%10","pubchem_cid":"23863734"}
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{"pert_id":"BRD-K77432048","pert_iname":"BRD-K77432048","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PVHJDJWPRZUURH","inchi_key":"PVHJDJWPRZUURH-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(Nc2nc(N)nc(CN3CCCCC3)n2)cc1","pubchem_cid":"704129"}
{"pert_id":"BRD-K77480336","pert_iname":"BRD-K77480336","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GZBUZCUHQUUESZ","inchi_key":"GZBUZCUHQUUESZ-DARPEHSRSA-N","canonical_smiles":"COc1ccc(/N=c/2\\cc(oc3ccc(O)cc23)c4ccc(OC)cc4)cc1","pubchem_cid":"1191868"}
{"pert_id":"BRD-K77545824","pert_iname":"SA-243276","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UCKREMIJSDYNRS","inchi_key":"UCKREMIJSDYNRS-IEGUWTFLSA-N","canonical_smiles":"CC(C)NC(=O)Nc1ccc2O[C@H](CN(C)CC3CC3)[C@H](C)CN([C@@H](C)CO)C(=O)Cc2c1","pubchem_cid":"54613929"}
{"pert_id":"BRD-K77547509","pert_iname":"BRD-K77547509","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MFABFKUNLDYKGH","inchi_key":"MFABFKUNLDYKGH-UHFFFAOYSA-N","canonical_smiles":"FC(F)(F)c1cccc(c1)N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1","pubchem_cid":"45100448"}
{"pert_id":"BRD-K77547920","pert_iname":"BRD-K77547920","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OYFRFXHZWLMGDU","inchi_key":"OYFRFXHZWLMGDU-UHFFFAOYSA-N","canonical_smiles":"Cn1nnnc1Sc2ncnc3scc(c4ccc(Br)cc4)c23","pubchem_cid":"31055126","chembl_id":"CHEMBL1553183","molregno":977067,"PubChem_ID":"31055126","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K77629773","pert_iname":"BRD-K77629773","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DJGRJRLVSKCCNZ","inchi_key":"DJGRJRLVSKCCNZ-FIAZIHOUSA-N","canonical_smiles":"CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)N(C[C@H]1C)C(=O)Nc1c(C)noc1C","pubchem_cid":"54632190"}
{"pert_id":"BRD-K77634909","pert_iname":"BRD-K77634909","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MQUYTXDAVCOCMX","inchi_key":"MQUYTXDAVCOCMX-UHFFFAOYSA-N","canonical_smiles":"NS(=O)(=O)c1nn2cc(nc2s1)-c1ccccc1","pubchem_cid":"698112","chembl_id":"CHEMBL19231","molregno":22792,"PubChem_ID":"698112","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K77641333","pert_iname":"naphazoline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CNIIGCLFLJGOGP","inchi_key":"CNIIGCLFLJGOGP-UHFFFAOYSA-N","canonical_smiles":"C(C1=NCCN1)c1cccc2ccccc12","pubchem_cid":"11079","MOA":"Adrenergic receptor agonist"}
{"pert_id":"BRD-K77644833","pert_iname":"BRD-K77644833","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SUHQAMSFJCSMJM","inchi_key":"SUHQAMSFJCSMJM-CUAXAMRHSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(F)(F)F)Oc3ccc(NC(=O)Nc4c(C)noc4C)cc3C1=O","pubchem_cid":"44491589"}
{"pert_id":"BRD-K77663706","pert_iname":"BRD-K77663706","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BSIGSQJJGCVKJX","inchi_key":"BSIGSQJJGCVKJX-PKTZIBPZSA-N","canonical_smiles":"OC[C@@H]1[C@H](c2ccccc2)C2(CN(C2)S(=O)(=O)c2ccccc2)N1CC1CCCC1","pubchem_cid":"60190019"}
{"pert_id":"BRD-K77677632","pert_iname":"SB-200646","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OJZZJTLBYXHUSJ","inchi_key":"OJZZJTLBYXHUSJ-UHFFFAOYSA-N","canonical_smiles":"Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12","pubchem_cid":"126769","MOA":"Serotonin receptor antagonist","chembl_id":"CHEMBL85194","molregno":134824,"PubChem_ID":"126769","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K77681376","pert_iname":"BRD-K77681376","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FLKHSCQMBSUMSH","inchi_key":"FLKHSCQMBSUMSH-UHFFFAOYSA-N","canonical_smiles":"[O-][N+](=O)c1cccc2[nH]c(CNc3nc(nc4n(cnc34)-c3ccsc3)N3CCOCC3)nc12","pubchem_cid":"45100431"}
{"pert_id":"BRD-K77685957","pert_iname":"dequalinium","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PCSWXVJAIHCTMO","inchi_key":"PCSWXVJAIHCTMO-UHFFFAOYSA-P","canonical_smiles":"Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12","pubchem_cid":"2993","chembl_id":"CHEMBL333826","molregno":192290,"PubChem_ID":"2993","DrugBank_ID":"DB04209","pref_name":"DEQUALINIUM","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":-1,"usan_stem":"-ium","usan_stem_definition":"quaternary ammonium derivatives","withdrawn_flag":0,"mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Dequalinium chloride (DQC) has a broad spectrum against gram-positive and -negative bacteria, yeasts, and protozoa. The antimicrobial activity of DQC is primarily based on their ability to increase cell permeability with subsequent loss of enzyme activity. The mechanism of action of DQC is based on the following actions: Adsorption on the cell surface and diffusion through the cell wall disturbing the cell permeability. Denaturation of proteins and discontinuation of synthesis in ribosomes. Loss of enzymatic activity. Precipitation of nucleic acid. Its multiple mode of action is thought to reduce the risk of resistance of pathogens."}
{"pert_id":"BRD-K77690805","pert_iname":"BRD-K77690805","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SNFROMRRGGKYTF","inchi_key":"SNFROMRRGGKYTF-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(NS(=O)(=O)c2ccc3NC(=O)CCc3c2)cc1C","pubchem_cid":"56643198","chembl_id":"CHEMBL3561272","molregno":1943023,"PubChem_ID":"56643198","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K77695569","pert_iname":"tiabendazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WJCNZQLZVWNLKY","inchi_key":"WJCNZQLZVWNLKY-UHFFFAOYSA-N","canonical_smiles":"c1nc(cs1)-c1nc2ccccc2[nH]1","pubchem_cid":"5430","MOA":"Angiogenesis inhibitor","chembl_id":"CHEMBL625","molregno":26590,"PubChem_ID":"5430","DrugBank_ID":"DB00730","pref_name":"THIABENDAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1967,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1962,"availability_type":0,"usan_stem":"-bendazole","usan_stem_definition":"anthelmintics (tibendazole type)","indication_class":"Anthelmintic","withdrawn_flag":0,"mechanism_of_action":"Tubulin inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K77750380","pert_iname":"BRD-K77750380","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HICHWNNNCJDVID","inchi_key":"HICHWNNNCJDVID-MBWUYLOXSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O","pubchem_cid":"44620728"}
{"pert_id":"BRD-K77760488","pert_iname":"BRD-K77760488","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CNGAJTGATCBZHJ","inchi_key":"CNGAJTGATCBZHJ-RHGYRFJNSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc3cc(ccc3S1(=O)=O)c4ccc(F)cc4","pubchem_cid":"54625502"}
{"pert_id":"BRD-K77762110","pert_iname":"BRD-K77762110","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VKISUPQZQYQECK","inchi_key":"VKISUPQZQYQECK-UHFFFAOYSA-N","canonical_smiles":"Fc1cccc(F)c1S(=O)(=O)NCCCCNS(=O)(=O)c2ccc3OCCOc3c2","pubchem_cid":"25243786","chembl_id":"CHEMBL1091795","molregno":620071,"PubChem_ID":"25243786","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K77771411","pert_iname":"moxonidine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WPNJAUFVNXKLIM","inchi_key":"WPNJAUFVNXKLIM-UHFFFAOYSA-N","canonical_smiles":"COc1nc(C)nc(Cl)c1NC1=NCCN1","pubchem_cid":"4810","MOA":"Imidazoline receptor agonist","chembl_id":"CHEMBL19236","molregno":21698,"PubChem_ID":"4810","DrugBank_ID":"DB09242","pref_name":"MOXONIDINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1998,"availability_type":-1,"withdrawn_flag":0,"mechanism_of_action":"Nischarin agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Activates I1 imidazoline receptors in the rostal ventrolateral medulla (RVLM). The result is the inhibition of peripheral alpha-adrenergic tone, and the decrease of blood pressure, due to a fall in systemic vascular resistant."}
{"pert_id":"BRD-K77790153","pert_iname":"BRD-K77790153","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZIYBKRPCCDRZAD","inchi_key":"ZIYBKRPCCDRZAD-ZBYYUNFXSA-N","canonical_smiles":"N#Cc1ccc(cc1)-c1ccc(cc1)[C@H]1[C@H]2CN(Cc3cocn3)C[C@@H]1N2","pubchem_cid":"60185137"}
{"pert_id":"BRD-K77793090","pert_iname":"BRD-K77793090","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NWXQZACELVQCTR","inchi_key":"NWXQZACELVQCTR-GOHWNWGWSA-N","canonical_smiles":"CCCN1C[C@@H](C)[C@H](CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(OC)c3)cc2OC[C@@H]1C)OC","pubchem_cid":"54631447"}
{"pert_id":"BRD-K77793136","pert_iname":"hydroxyfasudil","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZAVGJDAFCZAWSZ","inchi_key":"ZAVGJDAFCZAWSZ-UHFFFAOYSA-N","canonical_smiles":"Oc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1","pubchem_cid":"3064778","MOA":"Rho associated kinase inhibitor","chembl_id":"CHEMBL1233300","molregno":695650,"PubChem_ID":"3064778","DrugBank_ID":"DB04707","pref_name":"HYDROXYFASUDIL","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K77831863","pert_iname":"BRD-K77831863","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZTKNNPSVJPUDLJ","inchi_key":"ZTKNNPSVJPUDLJ-HLAWJBBLSA-N","canonical_smiles":"OC[C@H]1O[C@@H](CCNS(=O)(=O)Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1","pubchem_cid":"54638496"}
{"pert_id":"BRD-K77856555","pert_iname":"KU-C103874","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JTPHJFBQTUFCIS","inchi_key":"JTPHJFBQTUFCIS-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc2c(Cl)c(sc2c1)C(=O)NCCCN1CCOCC1","pubchem_cid":"3579902","chembl_id":"CHEMBL2144148","molregno":1416099,"PubChem_ID":"3579902","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K77876724","pert_iname":"YL-51","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PDGWCICOBAAHML","inchi_key":"PDGWCICOBAAHML-VAFZWBSWSA-N","canonical_smiles":"CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CCNC(C)=O)C(C)C)C(=O)N[C@]1(C)CCC\\C=C/CCC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC1=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O","pubchem_cid":"73707435"}
{"pert_id":"BRD-K77877933","pert_iname":"I-606061","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RVJRMPQLLBUGDF","inchi_key":"RVJRMPQLLBUGDF-MHUNNFNASA-N","canonical_smiles":"CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H](OC(=O)Nc4ccccc4c5ccccc5)[C@H]1OC(=O)Nc6ccccc6c7ccccc7","pubchem_cid":"23891514"}
{"pert_id":"BRD-K77888550","pert_iname":"BRD-K77888550","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NFEVTECKVPPYCJ","inchi_key":"NFEVTECKVPPYCJ-VKIDHGPPSA-N","canonical_smiles":"CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(OC)c3)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C","pubchem_cid":"54632214"}
{"pert_id":"BRD-K77899084","pert_iname":"BRD-K77899084","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KHGWYQNTVNQZQS","inchi_key":"KHGWYQNTVNQZQS-ISJBWFOZSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)Oc3ncc(cc3C1=O)C4=CCCCC4","pubchem_cid":"54629195"}
{"pert_id":"BRD-K77908580","pert_iname":"entinostat","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"INVTYAOGFAGBOE","inchi_key":"INVTYAOGFAGBOE-UHFFFAOYSA-N","canonical_smiles":"Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1","pubchem_cid":"4261","MOA":"HDAC inhibitor","chembl_id":"CHEMBL27759","molregno":36237,"PubChem_ID":"4261","DrugBank_ID":"DB11841","pref_name":"ENTINOSTAT","max_phase":3,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2008,"usan_stem":"-stat","usan_stem_definition":"enzyme inhibitors: inhibitors of histone deacetylase","withdrawn_flag":0,"mechanism_of_action":"Histone deacetylase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K77918867","pert_iname":"BG-1022","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RJTOQJYONLWMHJ","inchi_key":"RJTOQJYONLWMHJ-UHFFFAOYSA-N","canonical_smiles":"Oc1ccccc1NC(=O)c1ccncc1","pubchem_cid":"7791937"}
{"pert_id":"BRD-K77925998","pert_iname":"quipazine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XRXDAJYKGWNHTQ","inchi_key":"XRXDAJYKGWNHTQ-UHFFFAOYSA-N","canonical_smiles":"C1CN(CCN1)c1ccc2ccccc2n1","pubchem_cid":"5011","MOA":"Serotonin receptor agonist","chembl_id":"CHEMBL18772","molregno":21258,"PubChem_ID":"5011","pref_name":"QUIPAZINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1966,"indication_class":"Oxytocic; Antidepressant","withdrawn_flag":0}
{"pert_id":"BRD-K77947974","pert_iname":"fluspirilene","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QOYHHIBFXOOADH","inchi_key":"QOYHHIBFXOOADH-UHFFFAOYSA-N","canonical_smiles":"Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1","pubchem_cid":"3396","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL46516","molregno":66238,"PubChem_ID":"3396","DrugBank_ID":"DB04842","pref_name":"FLUSPIRILENE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1970,"availability_type":-1,"indication_class":"Antipsychotic","withdrawn_flag":0}
{"pert_id":"BRD-K77987382","pert_iname":"mebendazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OPXLLQIJSORQAM","inchi_key":"OPXLLQIJSORQAM-UHFFFAOYSA-N","canonical_smiles":"COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1","pubchem_cid":"4030","MOA":"Tubulin inhibitor","chembl_id":"CHEMBL685","molregno":29637,"PubChem_ID":"4030","DrugBank_ID":"DB00643","pref_name":"MEBENDAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1974,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1971,"availability_type":1,"usan_stem":"-bendazole","usan_stem_definition":"anthelmintics (tibendazole type)","indication_class":"Anthelmintic","withdrawn_flag":0,"mechanism_of_action":"Tubulin inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K77987635","pert_iname":"BRD-K77987635","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XMNRWSIHUYWWSG","inchi_key":"XMNRWSIHUYWWSG-IABYTQIASA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3CC1=O","pubchem_cid":"44485164","chembl_id":"CHEMBL3561724","molregno":1943475,"PubChem_ID":"44485164","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K77998258","pert_iname":"ganglioside","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"RDBVNNMYIBVCEP","inchi_key":"RDBVNNMYIBVCEP-UHFFFAOYSA-N","canonical_smiles":"COC(=O)c1c(C)c2Oc3c(Cl)c(OC(=O)C)c(Cl)c(C)c3C(=O)Oc2cc1OC","pubchem_cid":"4673190","MOA":"SRC activator","chembl_id":"CHEMBL1590432","molregno":1014316,"PubChem_ID":"4673190","pref_name":"GANGLEOIDIN ACETATE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K79131256","pert_iname":"albendazole","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HXHWSAZORRCQMX","inchi_key":"HXHWSAZORRCQMX-UHFFFAOYSA-N","canonical_smiles":"CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1","pubchem_cid":"2082","MOA":"Anthelmintic; Tubulin inhibitor","chembl_id":"CHEMBL1483","molregno":406787,"PubChem_ID":"2082","DrugBank_ID":"DB00518","pref_name":"ALBENDAZOLE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1996,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1976,"availability_type":1,"usan_stem":"-bendazole","usan_stem_definition":"anthelmintics (tibendazole type)","indication_class":"Anthelmintic","withdrawn_flag":0,"mechanism_of_action":"Tubulin inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K79131428","pert_iname":"BRD-K79131428","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GEPQSEIVCGMSGO","inchi_key":"GEPQSEIVCGMSGO-PIMCHDTMSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C1=O","pubchem_cid":"44487559","chembl_id":"CHEMBL1979419","molregno":1300710,"PubChem_ID":"44487559","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79134921","pert_iname":"methyltyramine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AXVZFRBSCNEKPQ","inchi_key":"AXVZFRBSCNEKPQ-UHFFFAOYSA-N","canonical_smiles":"CNCCc1ccc(O)cc1","pubchem_cid":"9727"}
{"pert_id":"BRD-K79145749","pert_iname":"dibenzepin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"QPGGEKPRGVJKQB","inchi_key":"QPGGEKPRGVJKQB-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCN1C(=O)c2ccccc2N(C)c3ccccc13","pubchem_cid":"9419","MOA":"Norepinephrine reuptake inhibitor","chembl_id":"CHEMBL1442422","molregno":866306,"PubChem_ID":"9419","DrugBank_ID":"DB13225","pref_name":"DIBENZEPIN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1964,"availability_type":-1,"usan_stem":"-pin","usan_stem_definition":"tricyclic compounds","indication_class":"Antidepressant","withdrawn_flag":0,"mechanism_of_action":"Histamine H1 receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Dibenzepin is a tricyclic antidepressant (TCA). It acts as a selective norepinephrine reuptake inhibitor (NRI). It is also a potent antihistamine (H1 receptor). The drug has weak or negligible effects on serotonin and dopamine reuptake. Unlike many other TCAs, dibenzepin has no antiadrenergic (α1, α2), antiserotonergic (5-HT1A, 5-HT2A), or antidopaminergic effects and has few or no anticholinergic (mACh) effects.","selectivity_comment":"Inhibitory effect on the uptake of noradrenaline (59 nM) by the perfused rabbit heart: 44.8 mM (ID50) Ki = 23 nM for H1 receptors."}
{"pert_id":"BRD-K79199004","pert_iname":"stanozolol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LKAJKIOFIWVMDJ","inchi_key":"LKAJKIOFIWVMDJ-XJKGWNRQSA-N","canonical_smiles":"C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4Cc5[nH]ncc5C[C@]4(C)[C@@H]3CC[C@]12C","pubchem_cid":"73707524"}
{"pert_id":"BRD-K79222491","pert_iname":"BRD-K79222491","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OJYLDJPQAFKURV","inchi_key":"OJYLDJPQAFKURV-UHFFFAOYSA-N","canonical_smiles":"FC(F)(F)c1ccc2[nH]c(CNc3nc(nc4n(cnc34)-c3ccsc3)N3CCOCC3)nc2c1","pubchem_cid":"45100452"}
{"pert_id":"BRD-K79224779","pert_iname":"lynestrenol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YNVGQYHLRCDXFQ","inchi_key":"YNVGQYHLRCDXFQ-SFUSBHMVSA-N","canonical_smiles":"C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@H]1CC[C@@]2(O)C#C","pubchem_cid":"73707508"}
{"pert_id":"BRD-K79235952","pert_iname":"BRD-K79235952","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BHVLZDJJLSBOHJ","inchi_key":"BHVLZDJJLSBOHJ-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)c1sc(SC)c2C(=O)CCCc12","pubchem_cid":"2778748","chembl_id":"CHEMBL335334","molregno":216950,"PubChem_ID":"2778748","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79242575","pert_iname":"SA-85148","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BTLFULALILTTIG","inchi_key":"BTLFULALILTTIG-ZENTWMBTSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3OCOc3c2)Oc4ccc(NC(=O)C5CC5)cc4C1=O","pubchem_cid":"44488330"}
{"pert_id":"BRD-K79251086","pert_iname":"BRD-K79251086","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FEKDIEXJLUWHRY","inchi_key":"FEKDIEXJLUWHRY-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc(CNc2ccccn2)c2cccnc12","pubchem_cid":"53338815"}
{"pert_id":"BRD-K79254416","pert_iname":"decitabine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XAUDJQYHKZQPEU","inchi_key":"XAUDJQYHKZQPEU-KVQBGUIXSA-N","canonical_smiles":"Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1","pubchem_cid":"451668","MOA":"DNA methyltransferase inhibitor","chembl_id":"CHEMBL1201129","molregno":675080,"PubChem_ID":"451668","DrugBank_ID":"DB01262","pref_name":"DECITABINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2006,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1989,"availability_type":1,"usan_stem":"-citabine","usan_stem_definition":"nucleoside antiviral or antineoplastic agents, cytarabine or azarabine derivatives","indication_class":"Antineoplastic","withdrawn_flag":0,"mechanism_of_action":"DNA (cytosine-5)-methyltransferase 1 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K79342257","pert_iname":"BRD-K79342257","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XOQUOBZQPFFOSV","inchi_key":"XOQUOBZQPFFOSV-UHFFFAOYSA-N","canonical_smiles":"Nc1scc2c(nn(c3ccccc3)c(=O)c12)C(=O)O","pubchem_cid":"9795907","chembl_id":"CHEMBL461622","molregno":471070,"PubChem_ID":"9795907","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79353516","pert_iname":"indolophenanthridine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WRNKIDLXXXIELU","inchi_key":"WRNKIDLXXXIELU-IEBWSBKVSA-N","canonical_smiles":"CN1Cc2ccccc2[C@H]3[C@H]1Cc4c[nH]c5cccc3c45","pubchem_cid":"58144","MOA":"CALY activator","chembl_id":"CHEMBL313737","molregno":130823,"PubChem_ID":"58144","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79366068","pert_iname":"PSB-069","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"MHSMKEQLFFWYOS","inchi_key":"MHSMKEQLFFWYOS-UHFFFAOYSA-N","canonical_smiles":"Nc1c(cc(Nc2ccc(Cl)cc2)c3C(=O)c4ccccc4C(=O)c13)S(=O)(=O)O","pubchem_cid":"24868311","MOA":"NTPDase inhibitor","chembl_id":"CHEMBL271673","molregno":438642,"PubChem_ID":"24868311","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79381128","pert_iname":"BRD-K79381128","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JAVHEOIOLMWJCB","inchi_key":"JAVHEOIOLMWJCB-UHFFFAOYSA-N","canonical_smiles":"FC(F)(F)Sc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12","pubchem_cid":"44460120","chembl_id":"CHEMBL1270004","molregno":709242,"PubChem_ID":"44460120","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79382620","pert_iname":"TH02453-036-P1","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PUQVAXDZGUENDK","inchi_key":"PUQVAXDZGUENDK-BEVDRBHNSA-N","canonical_smiles":"CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2ncccc12","pubchem_cid":"73707375"}
{"pert_id":"BRD-K79390395","pert_iname":"BRD-K79390395","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PBBZQGGDDNSZDP","inchi_key":"PBBZQGGDDNSZDP-UHFFFAOYSA-N","canonical_smiles":"Cc1cc(C(=O)CCl)c(C)n1CCc2ccc(Cl)cc2","pubchem_cid":"2442307","chembl_id":"CHEMBL1467760","molregno":891644,"PubChem_ID":"2442307","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79404599","pert_iname":"enzastaurin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"AXRCEOKUDYDWLF","inchi_key":"AXRCEOKUDYDWLF-UHFFFAOYSA-N","canonical_smiles":"Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12","pubchem_cid":"176167","MOA":"PKC inhibitor","chembl_id":"CHEMBL300138","molregno":83217,"PubChem_ID":"176167","DrugBank_ID":"DB06486","pref_name":"ENZASTAURIN","max_phase":3,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2000,"withdrawn_flag":0,"mechanism_of_action":"Protein kinase C beta inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K79407655","pert_iname":"BRD-K79407655","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GUDRVYMVDJFNLW","inchi_key":"GUDRVYMVDJFNLW-PIMCHDTMSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CCCN(C)C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4OCOc4c3)cc2C1=O","pubchem_cid":"54616049"}
{"pert_id":"BRD-K79414420","pert_iname":"BRD-K79414420","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UPHKKUIXSHQDEA","inchi_key":"UPHKKUIXSHQDEA-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)C1CCN(CC1)C(=O)C(C)(C)NC(=O)Nc1ccc(OC)c(Cl)c1","pubchem_cid":"60138126"}
{"pert_id":"BRD-K79425933","pert_iname":"benperidol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FEBOTPHFXYHVPL","inchi_key":"FEBOTPHFXYHVPL-UHFFFAOYSA-N","canonical_smiles":"Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O","pubchem_cid":"16363","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL297302","molregno":65455,"PubChem_ID":"16363","DrugBank_ID":"DB12867","pref_name":"BENPERIDOL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1963,"availability_type":-1,"usan_stem":"-peridol","usan_stem_definition":"antipsychotics (haloperidol type)","indication_class":"Antipsychotic","withdrawn_flag":0,"mechanism_of_action":"Dopamine D2 receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Benperidol is a butyrophenone derivative and a specific dopamine antagonist, selective for the D2 receptor. It also binds to serotonin receptors but to a lesser extent. In high doses it has anti histaminergic and alpha-adrenergic properties but its anticholinergic effects are small."}
{"pert_id":"BRD-K79437066","pert_iname":"BRD-K79437066","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KQHBUOPQWHUOND","inchi_key":"KQHBUOPQWHUOND-PMAPCBKXSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc3cc(ccc3S1(=O)=O)C4=CCCC4","pubchem_cid":"54629230"}
{"pert_id":"BRD-K79437791","pert_iname":"acetyl-farnesyl-cysteine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XTURYZYJYQRJDO","inchi_key":"XTURYZYJYQRJDO-BNAHBJSTSA-N","canonical_smiles":"CC(=O)N[C@@H](CSC\\C=C(/C)CC\\C=C(/C)CCC=C(C)C)C(O)=O","pubchem_cid":"6438381","MOA":"Inhibitor of methylation of endogenous isoprenylated proteins","chembl_id":"CHEMBL1555989","molregno":979873,"PubChem_ID":"6438381","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79459005","pert_iname":"BRD-K79459005","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LCGKYSOTAAWDQI","inchi_key":"LCGKYSOTAAWDQI-JIXXDEQJSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C1=O","pubchem_cid":"44491473"}
{"pert_id":"BRD-K79481905","pert_iname":"BRD-K79481905","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FMAAXSCNYRSPNB","inchi_key":"FMAAXSCNYRSPNB-ISJBWFOZSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2F)Oc3cc(C#CCN(C)C)ccc3S1(=O)=O","pubchem_cid":"54626143"}
{"pert_id":"BRD-K79489641","pert_iname":"BRD-K79489641","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RTHCXGNRZPZERE","inchi_key":"RTHCXGNRZPZERE-WDCHQWTNSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C1=O","pubchem_cid":"54615083"}
{"pert_id":"BRD-K79491139","pert_iname":"BRD-K79491139","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KUOAPNBMHMTFAQ","inchi_key":"KUOAPNBMHMTFAQ-UHFFFAOYSA-N","canonical_smiles":"Cc1cccc(CNc2ncnc3ccc(cc23)c4ccc5OCOc5c4)c1","pubchem_cid":"3234028","chembl_id":"CHEMBL565856","molregno":576968,"PubChem_ID":"3234028","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79501723","pert_iname":"cyclizine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UVKZSORBKUEBAZ","inchi_key":"UVKZSORBKUEBAZ-UHFFFAOYSA-N","canonical_smiles":"CN1CCN(CC1)C(c1ccccc1)c1ccccc1","pubchem_cid":"6726","chembl_id":"CHEMBL648","molregno":27546,"PubChem_ID":"6726","DrugBank_ID":"DB01176","pref_name":"CYCLIZINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1982,"oral":0,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":0,"indication_class":"Anti-Emetic,Antihistaminic,Antinauseant","withdrawn_flag":0}
{"pert_id":"BRD-K79511609","pert_iname":"BRD-K79511609","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BIXYYZIIJIXVFW","inchi_key":"BIXYYZIIJIXVFW-UUOKFMHZSA-N","canonical_smiles":"Nc1nc(Cl)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O","pubchem_cid":"8974","chembl_id":"CHEMBL285819","molregno":40636,"PubChem_ID":"8974","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79522882","pert_iname":"PSH-024","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GZMDFKPAEJIEIJ","inchi_key":"GZMDFKPAEJIEIJ-LJQANCHMSA-N","canonical_smiles":"COc1cccc(CN2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1","pubchem_cid":"24747169","chembl_id":"CHEMBL1698453","molregno":1079184,"PubChem_ID":"24747169","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79532217","pert_iname":"BRD-K79532217","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QOQOLXTVYWSIIG","inchi_key":"QOQOLXTVYWSIIG-VWKPWSFCSA-N","canonical_smiles":"CNC[C@H]1Oc2c(NS(=O)(=O)c3ccc(OC)cc3)cccc2C(=O)N(C[C@H]1C)[C@@H](C)CO","pubchem_cid":"44485612"}
{"pert_id":"BRD-K79554012","pert_iname":"BRD-K79554012","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XXNRUBCOJRWEOM","inchi_key":"XXNRUBCOJRWEOM-OWBHPGMISA-N","canonical_smiles":"CCCCOC(=O)CCN1C(=S)S\\C(=C/c2ccccc2)C1=O","pubchem_cid":"1556232","chembl_id":"CHEMBL1720494","molregno":1101225,"PubChem_ID":"1556232","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K79564569","pert_iname":"SA-1457305","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NLZWENHPOORBAO","inchi_key":"NLZWENHPOORBAO-BSWISCRUSA-N","canonical_smiles":"O[C@@H]1COC[C@H]2O[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)CC[C@@H]2N(C1)C(=O)c1ccccc1F","pubchem_cid":"54657714"}
{"pert_id":"BRD-K79602928","pert_iname":"metformin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XZWYZXLIPXDOLR","inchi_key":"XZWYZXLIPXDOLR-UHFFFAOYSA-N","canonical_smiles":"CN(C)C(=N)NC(N)=N","pubchem_cid":"4091","MOA":"Insulin sensitizer","chembl_id":"CHEMBL1431","molregno":369464,"PubChem_ID":"4091","DrugBank_ID":"DB00331","pref_name":"METFORMIN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1995,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1969,"availability_type":1,"usan_stem":"-formin","usan_stem_definition":"hypoglycemics (phenformin type)","indication_class":"Antidiabetic","withdrawn_flag":0}
{"pert_id":"BRD-K79619196","pert_iname":"BRD-K79619196","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KRHLSIZLOJMUJC","inchi_key":"KRHLSIZLOJMUJC-LPYMAVHISA-N","canonical_smiles":"Oc1ccccc1NC(=O)CCCCCC(=O)N/N=C/c2cc(F)ccc2O","pubchem_cid":"44507621"}
{"pert_id":"BRD-K79657514","pert_iname":"BRD-K79657514","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"TZEAMANOEIDNTF","inchi_key":"TZEAMANOEIDNTF-IPKWWJLYSA-N","canonical_smiles":"CC(C)(C)[S@](=O)N1Cc2cc(nc(c2[C@@H]1CCO)-c1cccc(c1)-c1ccc(cc1)C#N)C(=O)NCCN1CCCCC1","pubchem_cid":"54649472","chembl_id":"CHEMBL3560429","molregno":1942180,"PubChem_ID":"54649472","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K79711234","pert_iname":"thiamphenicol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OTVAEFIXJLOWRX","inchi_key":"OTVAEFIXJLOWRX-NXEZZACHSA-N","canonical_smiles":"CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl","pubchem_cid":"27200","chembl_id":"CHEMBL1236282","molregno":698632,"PubChem_ID":"27200","DrugBank_ID":"DB08621","pref_name":"THIAMPHENICOL","max_phase":1,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1968,"indication_class":"Antibacterial","withdrawn_flag":0}
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{"pert_id":"BRD-K82143716","pert_iname":"flucytosine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"XRECTZIEBJDKEO","inchi_key":"XRECTZIEBJDKEO-UHFFFAOYSA-N","canonical_smiles":"Nc1nc(=O)[nH]cc1F","pubchem_cid":"3366","MOA":"Antifungal","chembl_id":"CHEMBL1463","molregno":393942,"PubChem_ID":"3366","DrugBank_ID":"DB01099","pref_name":"FLUCYTOSINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1971,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1969,"availability_type":1,"indication_class":"Antifungal","withdrawn_flag":0,"mechanism_of_action":"Thymidylate synthase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K88217904","pert_iname":"BRD-K88217904","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OZYYCECXSZQYIA","inchi_key":"OZYYCECXSZQYIA-UYXZNNOOSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc3c(NC(=O)Nc4ccc(F)cc4)cccc3C1=O","pubchem_cid":"44499565"}
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{"pert_id":"BRD-K88278225","pert_iname":"BRD-K88278225","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YPKBHAMQCQAOQB","inchi_key":"YPKBHAMQCQAOQB-PEFAJXDASA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)Oc4ccc(NC(=O)Nc5ccc(cc5)C(F)(F)F)cc4CC1=O","pubchem_cid":"44508005"}
{"pert_id":"BRD-K88279116","pert_iname":"BRD-K88279116","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RQAOUBOGQGVTCU","inchi_key":"RQAOUBOGQGVTCU-LMNJBCLMSA-N","canonical_smiles":"CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(F)cc(F)c4)cc3C(=O)N2C)O1","pubchem_cid":"54654165"}
{"pert_id":"BRD-K88290000","pert_iname":"BRD-K88290000","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AZNYJAZMHSMGDJ","inchi_key":"AZNYJAZMHSMGDJ-WENCSYSZSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc3ccc(NC(=O)c4ccncc4)cc3CC1=O","pubchem_cid":"54614174"}
{"pert_id":"BRD-K88304388","pert_iname":"dextrorphan","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JAQUASYNZVUNQP","inchi_key":"JAQUASYNZVUNQP-PVAVHDDUSA-N","canonical_smiles":"CN1CC[C@]23CCCC[C@@H]3[C@@H]1Cc4ccc(O)cc42","pubchem_cid":"5388990","MOA":"Glutamate receptor antagonist","chembl_id":"CHEMBL1426948","molregno":850832,"PubChem_ID":"5388990","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K88317944","pert_iname":"VU-0420364-1","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JXGIYKRRPGCLFV","inchi_key":"JXGIYKRRPGCLFV-QFIPXVFZSA-N","canonical_smiles":"CC(C)(C)NC(=O)[C@@H](N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1","pubchem_cid":"46897843","chembl_id":"CHEMBL2311739","molregno":1510778,"PubChem_ID":"46897843","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K88329126","pert_iname":"BRD-K88329126","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FLLRQABPKFCXSO","inchi_key":"FLLRQABPKFCXSO-UHFFFAOYSA-N","canonical_smiles":"COc1cc(c(O)cc1C(C)(C)C)C(C)(C)C","pubchem_cid":"74812","chembl_id":"CHEMBL1600347","molregno":1024231,"PubChem_ID":"74812","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K88358234","pert_iname":"xaliproden","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WJJYZXPHLSLMGE","inchi_key":"WJJYZXPHLSLMGE-UHFFFAOYSA-N","canonical_smiles":"FC(F)(F)c1cccc(c1)C1=CCN(CCc2ccc3ccccc3c2)CC1","pubchem_cid":"128919","MOA":"Serotonin receptor agonist","chembl_id":"CHEMBL1512580","molregno":936464,"PubChem_ID":"128919","DrugBank_ID":"DB06393","pref_name":"XALIPRODEN","max_phase":3,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1999,"withdrawn_flag":0,"mechanism_of_action":"Serotonin 1a (5-HT1a) receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"It has neurotrophic and neuroprotective activities. Although its mechanism of action is not fully understood, xaliproden appears to either mimic the effects of neurotrophins or stimulate their synthesis, thereby stimulating neuronal cell differentiation and proliferation and inhibiting neuronal cell death."}
{"pert_id":"BRD-K88365400","pert_iname":"viomycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GXFAIFRPOKBQRV","inchi_key":"GXFAIFRPOKBQRV-MTSIYCAOSA-N","canonical_smiles":"NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)=CNC(N)=O)[C@H]1C[C@H](O)N=C(N)N1","pubchem_cid":"3037981"}
{"pert_id":"BRD-K88366685","pert_iname":"trimetazidine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UHWVSEOVJBQKBE","inchi_key":"UHWVSEOVJBQKBE-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(CN2CCNCC2)c(OC)c1OC","pubchem_cid":"9926449","chembl_id":"CHEMBL1476337","molregno":900221,"PubChem_ID":"9926449","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K88429204","pert_iname":"pyrimethamine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"WKSAUQYGYAYLPV","inchi_key":"WKSAUQYGYAYLPV-UHFFFAOYSA-N","canonical_smiles":"CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1","pubchem_cid":"4993","MOA":"Dihydrofolate reductase inhibitor","chembl_id":"CHEMBL36","molregno":2080,"PubChem_ID":"4993","DrugBank_ID":"DB00205","pref_name":"PYRIMETHAMINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1953,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"indication_class":"Antimalarial","withdrawn_flag":0,"mechanism_of_action":"Dihydrofolate reductase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K88529044","pert_iname":"SA-441092","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FKANUCVYFMQPCL","inchi_key":"FKANUCVYFMQPCL-GOHWNWGWSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc3ccc(NC(=O)NC4CCCCC4)cc3CC1=O","pubchem_cid":"54614219"}
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{"pert_id":"BRD-K88551539","pert_iname":"CAY-10585","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CSCOJWVRGOZGPK","inchi_key":"CSCOJWVRGOZGPK-UHFFFAOYSA-N","canonical_smiles":"COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C2C3CC4CC(C3)CC2C4)c1","pubchem_cid":"35028748","MOA":"HIF modulator"}
{"pert_id":"BRD-K88556033","pert_iname":"BRD-K88556033","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YSGLYMRBMQFYDJ","inchi_key":"YSGLYMRBMQFYDJ-XXAUWVGASA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(C)cc2)Oc3c(NC(=O)NC4CCCCC4)cccc3C1=O","pubchem_cid":"44499885"}
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{"pert_id":"BRD-K88568253","pert_iname":"iproniazid","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NYMGNSNKLVNMIA","inchi_key":"NYMGNSNKLVNMIA-UHFFFAOYSA-N","canonical_smiles":"CC(C)NNC(=O)c1ccncc1","pubchem_cid":"9367","MOA":"Monoamine oxidase inhibitor"}
{"pert_id":"BRD-K88569143","pert_iname":"BRD-K88569143","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XXCHHAWXLBRHHY","inchi_key":"XXCHHAWXLBRHHY-NHCYSSNCSA-N","canonical_smiles":"OC(=O)[C@H]1C[C@@H]2N([C@H]1c3ccc(O)cc3)C(=O)CNC2=O","pubchem_cid":"23975571"}
{"pert_id":"BRD-K88575585","pert_iname":"BRD-K88575585","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ONTWCYDBNXHETF","inchi_key":"ONTWCYDBNXHETF-UHFFFAOYSA-N","canonical_smiles":"NCCc1csc2ccc(O)cc12","pubchem_cid":"25600"}
{"pert_id":"BRD-K88611939","pert_iname":"aniracetam","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZXNRTKGTQJPIJK","inchi_key":"ZXNRTKGTQJPIJK-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1)C(=O)N1CCCC1=O","pubchem_cid":"2196","MOA":"Glutamate receptor agonist","chembl_id":"CHEMBL36994","molregno":53591,"PubChem_ID":"2196","DrugBank_ID":"DB04599","pref_name":"ANIRACETAM","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1981,"usan_stem":"-racetam","usan_stem_definition":"nootropes (piracetam type)","indication_class":"Mental Performance Enhancer","withdrawn_flag":0}
{"pert_id":"BRD-K88622704","pert_iname":"BRD-K88622704","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HLTAPNXQVJMYCZ","inchi_key":"HLTAPNXQVJMYCZ-UHFFFAOYSA-N","canonical_smiles":"CCOc1ccccc1CNc2ncnc3ccc(cc23)c4c(C)noc4C","pubchem_cid":"17757080","chembl_id":"CHEMBL1362520","molregno":786404,"PubChem_ID":"17757080","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K88625236","pert_iname":"nonoxynol-9","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FBWNMEQMRUMQSO","inchi_key":"FBWNMEQMRUMQSO-UHFFFAOYSA-N","canonical_smiles":"CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1","pubchem_cid":"72385","MOA":"Membrane integrity inhibitor","chembl_id":"CHEMBL1410","molregno":345872,"PubChem_ID":"72385","DrugBank_ID":"DB06804","pref_name":"NONOXYNOL 9","max_phase":4,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1966,"availability_type":2,"indication_class":"Spermaticide; Pharmaceutic Aid (wetting and/or solubilizing agent)","withdrawn_flag":0}
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{"pert_id":"BRD-K88668992","pert_iname":"BRD-K88668992","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YBZYCCDTZPMLOW","inchi_key":"YBZYCCDTZPMLOW-UHFFFAOYSA-N","canonical_smiles":"CCc1nn2c(nc(N3CCNCC3)c(F)c2=O)s1","pubchem_cid":"44820670","chembl_id":"CHEMBL1398179","molregno":822063,"PubChem_ID":"44820670","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K88682005","pert_iname":"chlorothiazide","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JBMKAUGHUNFTOL","inchi_key":"JBMKAUGHUNFTOL-UHFFFAOYSA-N","canonical_smiles":"NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O","pubchem_cid":"2720","chembl_id":"CHEMBL842","molregno":62615,"PubChem_ID":"2720","DrugBank_ID":"DB00880","pref_name":"CHLOROTHIAZIDE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1958,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1964,"availability_type":1,"usan_stem":"-thiazide","usan_stem_definition":"diuretics (thiazide derivatives)","indication_class":"Antihypertensive; Diuretic,Diuretic","withdrawn_flag":0,"mechanism_of_action":"Thiazide-sensitive sodium-chloride cotransporter inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K88684430","pert_iname":"BRD-K88684430","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YWUOOJZCEOJKLU","inchi_key":"YWUOOJZCEOJKLU-TZRRMPRUSA-N","canonical_smiles":"OC[C@H]1[C@@H]([C@@H](C#N)N1c1nc(cs1)-c1ccccc1)c1ccc(cc1)C1=CCCC1","pubchem_cid":"54649913"}
{"pert_id":"BRD-K88701661","pert_iname":"dimercaptosuccinic-acid","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ACTRVOBWPAIOHC","inchi_key":"ACTRVOBWPAIOHC-XIXRPRMCSA-N","canonical_smiles":"OC(=O)[C@@H](S)[C@@H](S)C(O)=O","pubchem_cid":"2724354","MOA":"Chelating agent","chembl_id":"CHEMBL1201073","molregno":675024,"PubChem_ID":"2724354","DrugBank_ID":"DB00566","pref_name":"SUCCIMER","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1991,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1978,"availability_type":1,"usan_stem":"-mer","usan_stem_definition":"polymers","indication_class":"Diagnostic Aid","withdrawn_flag":0,"mechanism_of_action":"Lead chelating agent","action_type":"CHELATING AGENT","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K89014967","pert_iname":"AS-703026","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VIUAUNHCRHHYNE","inchi_key":"VIUAUNHCRHHYNE-JTQLQIEISA-N","canonical_smiles":"OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F","pubchem_cid":"44187362","MOA":"MEK inhibitor","chembl_id":"CHEMBL2107832","molregno":1380102,"PubChem_ID":"44187362","DrugBank_ID":"DB14904","pref_name":"PIMASERTIB","max_phase":2,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2012,"usan_stem":"-sertib","usan_stem_definition":"serine/threonine kinase inhibitors","withdrawn_flag":0,"mechanism_of_action":"Dual specificity mitogen-activated protein kinase kinase 1 inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K89046952","pert_iname":"ciclacillin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HGBLNBBNRORJKI","inchi_key":"HGBLNBBNRORJKI-WCABBAIRSA-N","canonical_smiles":"CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O","pubchem_cid":"19003","MOA":"Bacterial cell wall synthesis inhibitor","chembl_id":"CHEMBL1200356","molregno":674307,"PubChem_ID":"19003","DrugBank_ID":"DB01000","pref_name":"CYCLACILLIN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1979,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1969,"availability_type":0,"usan_stem":"-cillin","usan_stem_definition":"penicillins","indication_class":"Antibacterial","withdrawn_flag":0,"mechanism_of_action":"Bacterial penicillin-binding protein inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K89055274","pert_iname":"alverine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZPFXAOWNKLFJDN","inchi_key":"ZPFXAOWNKLFJDN-UHFFFAOYSA-N","canonical_smiles":"CCN(CCCc1ccccc1)CCCc1ccccc1","pubchem_cid":"3678","MOA":"Muscle relaxant","chembl_id":"CHEMBL253371","molregno":418413,"PubChem_ID":"3678","DrugBank_ID":"DB01616","pref_name":"ALVERINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1965,"availability_type":-1,"usan_stem":"-verine","usan_stem_definition":"spasmolytic agents (papaverine type)","indication_class":"Anticholinergic","withdrawn_flag":0,"mechanism_of_action":"Hepatocyte nuclear factor 4-alpha activator","action_type":"ACTIVATOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Alverine has been shown to bind to 5-HT1A receptors thereby acting as an antagonist that reduces the visceral pronociceptive effect of 5-HT. Alverine acts directly on the muscle in the gut, causing it to relax. This prevents the muscle spasms which occur in the gut in conditions such as irritable bowel syndrome and diverticular disease. It has also been reported that Alverine acts as HNF4α activator."}
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{"pert_id":"BRD-K89708791","pert_iname":"rifaximin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NZCRJKRKKOLAOJ","inchi_key":"NZCRJKRKKOLAOJ-LGPAXTBISA-N","canonical_smiles":"CO[C@H]1\\C=C\\O[C@@]2(C)Oc3c(C2=O)c2c4nc5cc(C)ccn5c4c(NC(=O)\\C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C","pubchem_cid":"57507834","MOA":"RNA synthesis inhibitor"}
{"pert_id":"BRD-K89732114","pert_iname":"trifluoperazine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZEWQUBUPAILYHI","inchi_key":"ZEWQUBUPAILYHI-UHFFFAOYSA-N","canonical_smiles":"CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1","pubchem_cid":"5566","MOA":"Dopamine receptor antagonist","chembl_id":"CHEMBL422","molregno":1325,"PubChem_ID":"5566","DrugBank_ID":"DB00831","pref_name":"TRIFLUOPERAZINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1959,"oral":1,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"indication_class":"Antipsychotic; Sedative-Hypnotic","withdrawn_flag":0}
{"pert_id":"BRD-K89748981","pert_iname":"BRD-K89748981","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NRPZVXPBHJTZEN","inchi_key":"NRPZVXPBHJTZEN-UHFFFAOYSA-N","canonical_smiles":"CCCCc1ccc2nc(NC(=O)c3cccs3)sc2c1","pubchem_cid":"1814489","chembl_id":"CHEMBL1899989","molregno":1240560,"PubChem_ID":"1814489","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K89786160","pert_iname":"BRD-K89786160","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CDORNJFFLVOQTD","inchi_key":"CDORNJFFLVOQTD-UHFFFAOYSA-N","canonical_smiles":"Fc1cccc(F)c1S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1","pubchem_cid":"53338859"}
{"pert_id":"BRD-K89808696","pert_iname":"BRD-K89808696","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JXCOUSRHXUUARO","inchi_key":"JXCOUSRHXUUARO-VWLOTQADSA-N","canonical_smiles":"COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(F)cc1)C[C@]31CN(Cc2ccccn2)C1","pubchem_cid":"60189997"}
{"pert_id":"BRD-K89814851","pert_iname":"BRD-K89814851","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SSOLHIWTHLMYQB","inchi_key":"SSOLHIWTHLMYQB-UHFFFAOYSA-N","canonical_smiles":"O=C(CSc1nc(ccc1C#N)c2cccs2)Nc3sc4CCCCc4c3C#N","pubchem_cid":"1772635"}
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{"pert_id":"BRD-K89833083","pert_iname":"BRD-K89833083","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AZNYJAZMHSMGDJ","inchi_key":"AZNYJAZMHSMGDJ-PFPZSTESSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCCC2)Oc3ccc(NC(=O)c4ccncc4)cc3CC1=O","pubchem_cid":"44618844"}
{"pert_id":"BRD-K89839824","pert_iname":"raltitrexed","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IVTVGDXNLFLDRM","inchi_key":"IVTVGDXNLFLDRM-HNNXBMFYSA-N","canonical_smiles":"CN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O","pubchem_cid":"104758","MOA":"Thymidylate synthase inhibitor"}
{"pert_id":"BRD-K89843224","pert_iname":"BRD-K89843224","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RMCQSAVULQTLFU","inchi_key":"RMCQSAVULQTLFU-IFQGXUADSA-N","canonical_smiles":"CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3nc2O)/C1=O","pubchem_cid":"44508235"}
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{"pert_id":"BRD-K89930444","pert_iname":"AG-592","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VEPQEAOWDILSHB","inchi_key":"VEPQEAOWDILSHB-KOJZRSEWSA-N","canonical_smiles":"Oc1ccc(/C=C(\\C#N)/C(=O)NC2CCC(CC3CCC(CC3)NC(=O)\\C(=C\\c4ccc(O)c(O)c4)\\C#N)CC2)cc1O","pubchem_cid":"NotFound","MOA":"Tyrosine kinase inhibitor"}
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{"pert_id":"BRD-K89966732","pert_iname":"BRD-K89966732","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZMXRTTQUHKREAD","inchi_key":"ZMXRTTQUHKREAD-GBJJYOARSA-N","canonical_smiles":"COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)NC4CCCCC4)cc3C(=O)N(C[C@H]2C)[C@H](C)CO)cc1","pubchem_cid":"44497370"}
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{"pert_id":"BRD-K90072296","pert_iname":"ML-4054","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-K90077012","pert_iname":"BRD-K90077012","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CGOCMQHCURDBDJ","inchi_key":"CGOCMQHCURDBDJ-RNHFSVANSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cncnc2)Oc3cc(ccc3S1(=O)=O)C4=CCCCC4","pubchem_cid":"54629280"}
{"pert_id":"BRD-K90090262","pert_iname":"BRD-K90090262","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JEPRUQPUBMTDSJ","inchi_key":"JEPRUQPUBMTDSJ-UHFFFAOYSA-N","canonical_smiles":"OC(=O)c1cc2cc(CSCCC#N)ccc2o1","pubchem_cid":"1916559","chembl_id":"CHEMBL1320147","molregno":744031,"PubChem_ID":"1916559","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K90108753","pert_iname":"BRD-K90108753","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HUDOXNPGJVTKHC","inchi_key":"HUDOXNPGJVTKHC-YPCDYVTLSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)Oc3ncc(cc3C1=O)c4ccc(C)cc4","pubchem_cid":"54631009"}
{"pert_id":"BRD-K90135241","pert_iname":"BRD-K90135241","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NZHWHUJBRQKMJV","inchi_key":"NZHWHUJBRQKMJV-VDWGHMIBSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C1=O","pubchem_cid":"44488429"}
{"pert_id":"BRD-K90143908","pert_iname":"BRD-K90143908","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LUEDFXFVYWVEMN","inchi_key":"LUEDFXFVYWVEMN-KGVIQGDOSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc3c(cccc3C1=O)N(C)C","pubchem_cid":"44486244"}
{"pert_id":"BRD-K90149465","pert_iname":"BRD-K90149465","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OJORFHMACFRWQB","inchi_key":"OJORFHMACFRWQB-PBDKAQRYSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3OCOc3c2)Oc4cc(C#CCN(C)C)ccc4S1(=O)=O","pubchem_cid":"54625293","chembl_id":"CHEMBL2358157","molregno":1535346,"PubChem_ID":"54625293","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K90177246","pert_iname":"tetroquinone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GQPHQLHUIDOQTA","inchi_key":"GQPHQLHUIDOQTA-UHFFFAOYSA-N","canonical_smiles":"OC1C(=O)C(=O)C(O)C(=O)C1=O","pubchem_cid":"36689751"}
{"pert_id":"BRD-K90184854","pert_iname":"BRD-K90184854","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RPQNKPQYAVBHIP","inchi_key":"RPQNKPQYAVBHIP-PUNARZIMSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3C1=O","pubchem_cid":"44616391"}
{"pert_id":"BRD-K90207583","pert_iname":"PSH-008","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XLHDISIHIXXBEP","inchi_key":"XLHDISIHIXXBEP-LJQANCHMSA-N","canonical_smiles":"Cc1ccc(CN2C(=O)[C@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1","pubchem_cid":"24747213","chembl_id":"CHEMBL1887827","molregno":1228398,"PubChem_ID":"24747213","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K90234489","pert_iname":"BRD-K90234489","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CKAVSIOSJSZLML","inchi_key":"CKAVSIOSJSZLML-MZXQNBQBSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)OCCCC[C@@H](C)Oc4ccc(NC(=O)Nc5ccccc5)cc4C1=O","pubchem_cid":"44502951"}
{"pert_id":"BRD-K90241462","pert_iname":"chlormadinone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QMBJSIBWORFWQT","inchi_key":"QMBJSIBWORFWQT-MPOANZNHSA-N","canonical_smiles":"CC(=O)O[C@@]1(CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)=O","pubchem_cid":"40532410","MOA":"5-alpha reductase inhibitor; Progesterone receptor agonist"}
{"pert_id":"BRD-K90259198","pert_iname":"W-7","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"IDEHCMNLNCJQST","inchi_key":"IDEHCMNLNCJQST-UHFFFAOYSA-N","canonical_smiles":"NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12","pubchem_cid":"124887","MOA":"Calmodulin antagonist; Potassium channel blocker"}
{"pert_id":"BRD-K90281509","pert_iname":"BRD-K90281509","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LFSFSXVVLAKPPY","inchi_key":"LFSFSXVVLAKPPY-MQBJWECPSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2ccncc2)OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccccc4)cc3C1=O","pubchem_cid":"44501519"}
{"pert_id":"BRD-K90310644","pert_iname":"BRD-K90310644","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LXRLVBFXBBYPLC","inchi_key":"LXRLVBFXBBYPLC-GTNJKRJXSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC2)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C1=O","pubchem_cid":"44487847"}
{"pert_id":"BRD-K90361987","pert_iname":"BRD-K90361987","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FZARLNUCAVCJAO","inchi_key":"FZARLNUCAVCJAO-FUPPJEDESA-N","canonical_smiles":"OC[C@H]1[C@@H]([C@@H](C#N)N1C(=O)CN1CCOCC1)c1ccc(cc1)C1=CCCCC1","pubchem_cid":"54650443"}
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{"pert_id":"BRD-K91184774","pert_iname":"BRD-K91184774","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BNBCXCRNPDIKRO","inchi_key":"BNBCXCRNPDIKRO-UHFFFAOYSA-N","canonical_smiles":"Cc1nc(N)c2c(Cc3cccc4ccccc34)nn(c2n1)C(C)(C)C","pubchem_cid":"24747149","chembl_id":"CHEMBL1720169","molregno":1100900,"PubChem_ID":"24747149","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91243525","pert_iname":"SR-142948","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LWULHXVBLMWCHO","inchi_key":"LWULHXVBLMWCHO-UHFFFAOYSA-N","canonical_smiles":"COc1cccc(OC)c1c2cc(nn2c3ccc(cc3C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC4(C5CC6CC(C5)CC4C6)C(=O)O","pubchem_cid":"5311451","MOA":"Neurotensin receptor antagonist","chembl_id":"CHEMBL3040381","molregno":1593192,"PubChem_ID":"5311451","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91250867","pert_iname":"BRD-K91250867","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KGUBXXXSQYSQMA","inchi_key":"KGUBXXXSQYSQMA-PMDGAQSISA-N","canonical_smiles":"COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3C(=O)N(C[C@@H]2C)[C@@H](C)CO)cc1","pubchem_cid":"54616297"}
{"pert_id":"BRD-K91263825","pert_iname":"nortriptyline","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"PHVGLTMQBUFIQQ","inchi_key":"PHVGLTMQBUFIQQ-UHFFFAOYSA-N","canonical_smiles":"CNCCC=C1c2ccccc2CCc2ccccc12","pubchem_cid":"441358","MOA":"Tricyclic antidepressant"}
{"pert_id":"BRD-K91264756","pert_iname":"BRD-K91264756","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NXEKZBMPMPBIGJ","inchi_key":"NXEKZBMPMPBIGJ-UHFFFAOYSA-N","canonical_smiles":"CCCOc1ccc(Cl)cc1Nc2nc(NCCO)nc(n2)N3CCCC3","pubchem_cid":"24747181","chembl_id":"CHEMBL1891432","molregno":1232003,"PubChem_ID":"24747181","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91273791","pert_iname":"BRD-K91273791","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UKHOTCUVWGHQDN","inchi_key":"UKHOTCUVWGHQDN-UHFFFAOYSA-N","canonical_smiles":"Cn1c2cc(Br)sc2c3cnn(Cc4c(F)cccc4Cl)c(=O)c13","pubchem_cid":"44246512","chembl_id":"CHEMBL1371719","molregno":795603,"PubChem_ID":"44246512","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91289464","pert_iname":"cefotetan","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SRZNHPXWXCNNDU","inchi_key":"SRZNHPXWXCNNDU-IXOPCIAXSA-N","canonical_smiles":"CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C","pubchem_cid":"53025"}
{"pert_id":"BRD-K91290917","pert_iname":"amodiaquine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OVCDSSHSILBFBN","inchi_key":"OVCDSSHSILBFBN-UHFFFAOYSA-N","canonical_smiles":"CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O","pubchem_cid":"2165","MOA":"Histamine receptor agonist"}
{"pert_id":"BRD-K91315211","pert_iname":"betahistine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"UUQMNUMQCIQDMZ","inchi_key":"UUQMNUMQCIQDMZ-UHFFFAOYSA-N","canonical_smiles":"CNCCc1ccccn1","pubchem_cid":"2366","MOA":"Histamine receptor agonist; Histamine receptor antagonist","chembl_id":"CHEMBL24441","molregno":32459,"PubChem_ID":"2366","DrugBank_ID":"DB06698","pref_name":"BETAHISTINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1962,"availability_type":-1,"indication_class":"Vasodilator","withdrawn_flag":0,"mechanism_of_action":"Histamine H1 receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Betahistine has a very strong affinity as an antagonist for histamine H3 receptors and a weak affinity as an agonist for histamine H1 receptors. Its efficacy can be explained by mechanisms targeting these histamine receptors (HRs) at three different levels: the vascular tree, with an increase of cochlear and vestibular blood flow involving the H1R; the central nervous system, with an increase of histamine turnover implicating the H3R, and the peripheral labyrinth, with a decrease of vestibular input implying the H3R/H4R.","selectivity_comment":"Betahistine is a strong Histamine H3 receptor antagonist and a weak Histamine H1 agonist."}
{"pert_id":"BRD-K91336023","pert_iname":"mesulergine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JLVHTNZNKOSCNB","inchi_key":"JLVHTNZNKOSCNB-YSVLISHTSA-N","canonical_smiles":"CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1","pubchem_cid":"68848","MOA":"Dopamine receptor agonist","chembl_id":"CHEMBL12314","molregno":10959,"PubChem_ID":"68848","pref_name":"MESULERGINE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_stem":"-erg-","usan_stem_definition":"ergot alkaloid derivatives","withdrawn_flag":0}
{"pert_id":"BRD-K91338578","pert_iname":"BRD-K91338578","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NVJHSDSXMVEEAW","inchi_key":"NVJHSDSXMVEEAW-VNHAASDWSA-N","canonical_smiles":"CC(=O)N[C@@H]1C\\C=C\\CCC(=O)N[C@@H](COC1=O)c1ccc(F)cc1","pubchem_cid":"70680400"}
{"pert_id":"BRD-K91339294","pert_iname":"BRD-K91339294","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MYQHHELRUSFZCD","inchi_key":"MYQHHELRUSFZCD-UEXGIBASSA-N","canonical_smiles":"CCCN(C)C[C@@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N(C[C@@H]1C)[C@H](C)CO","pubchem_cid":"44488728"}
{"pert_id":"BRD-K91349888","pert_iname":"ARG-A1-22","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LPQZIJMSKXXKMU","inchi_key":"LPQZIJMSKXXKMU-UHFFFAOYSA-N","canonical_smiles":"[O-][N+](=O)c1c(Cl)c2ccccc2n(Cc2ccccc2)c1=O","pubchem_cid":"800654","chembl_id":"CHEMBL3115921","molregno":1618905,"PubChem_ID":"800654","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91355947","pert_iname":"BRD-K91355947","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RYEGNCFLXRVGFM","inchi_key":"RYEGNCFLXRVGFM-UHFFFAOYSA-N","canonical_smiles":"[O-][N+](=O)c1ccc(OCC(=O)Nc2ccc3oc(nc3c2)c4ccc(F)cc4)cc1","pubchem_cid":"1326094"}
{"pert_id":"BRD-K91395443","pert_iname":"BRD-K91395443","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DRQNCGZLFKRWDU","inchi_key":"DRQNCGZLFKRWDU-WGKZYHDKSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc3ccc(NC(=O)NC4CCCCC4)cc3C1=O","pubchem_cid":"44502236"}
{"pert_id":"BRD-K91424547","pert_iname":"BRD-K91424547","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DXNYPMFBKGSJNE","inchi_key":"DXNYPMFBKGSJNE-HMFYCAOWSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2cccc(c2)C(F)(F)F)OCc3cnnn3CCCC1=O","pubchem_cid":"44506061","chembl_id":"CHEMBL1889396","molregno":1229967,"PubChem_ID":"44506061","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91440401","pert_iname":"BRD-K91440401","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DVWAPASGEQQCHP","inchi_key":"DVWAPASGEQQCHP-SMIHKQSGSA-N","canonical_smiles":"COc1cccc(CN2[C@H](CO)[C@@H]3[C@H]2CN(C(=O)c2ccncc2)c2ccccc32)c1","pubchem_cid":"54652942"}
{"pert_id":"BRD-K91442916","pert_iname":"CAM-9-026","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JYLJYHDOXFQHEK","inchi_key":"JYLJYHDOXFQHEK-WVEXKQSWSA-N","canonical_smiles":"C[C@@H](COC(=O)C(C)(C)C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O","pubchem_cid":"49849931","MOA":"Membrane metalloendopeptidase inhibitor","chembl_id":"CHEMBL1882496","molregno":1223067,"PubChem_ID":"49849931","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91449330","pert_iname":"BRD-K91449330","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UOTOWPKHODSOBQ","inchi_key":"UOTOWPKHODSOBQ-HNNXBMFYSA-N","canonical_smiles":"COC(=O)N1N(C(=O)OC)[C@](C(C)C)(C1=O)c1ccc(Cl)cc1","pubchem_cid":"60138064"}
{"pert_id":"BRD-K91454871","pert_iname":"BRD-K91454871","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YTKXGOHYQXREHC","inchi_key":"YTKXGOHYQXREHC-JKHIJQBDSA-N","canonical_smiles":"C(N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(cc1)-c1ccncc1)c1ccccc1","pubchem_cid":"60185512"}
{"pert_id":"BRD-K91461129","pert_iname":"BRD-K91461129","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UUOQJBGZVSDHFR","inchi_key":"UUOQJBGZVSDHFR-QFIPXVFZSA-N","canonical_smiles":"CCCC(=O)N1C[C@@]2(C1)CN([C@@H](CO)c1c2c2ccc(OC)cc2n1C)C(=O)Nc1cccc(F)c1","pubchem_cid":"60190220"}
{"pert_id":"BRD-K91485395","pert_iname":"BRD-K91485395","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UEMVHDDFBLKUGI","inchi_key":"UEMVHDDFBLKUGI-XYGWBWBKSA-N","canonical_smiles":"OS(=O)(=O)CCN1C(=S)S\\C(=C/c2cn(nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)-c2ccccc2)C1=O","pubchem_cid":"4601225","chembl_id":"CHEMBL1968591","molregno":1289882,"PubChem_ID":"4601225","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91501298","pert_iname":"BRD-K91501298","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LSXHZKGIQBOBSG","inchi_key":"LSXHZKGIQBOBSG-DFCKQENNSA-N","canonical_smiles":"COc1ccc(cc1)C#Cc1ccc2N[C@H](CO)[C@@H]3CCN([C@@H]3c2c1)C(=O)C1CCCC1","pubchem_cid":"60188007","chembl_id":"CHEMBL3560440","molregno":1942191,"PubChem_ID":"60188007","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91511962","pert_iname":"desoxycortone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZESRJSPZRDMNHY","inchi_key":"ZESRJSPZRDMNHY-KBAFEORJSA-N","canonical_smiles":"C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO","pubchem_cid":"73707523","MOA":"Mineralocorticoid receptor agonist"}
{"pert_id":"BRD-K91517665","pert_iname":"BRD-K91517665","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PDNRMSRZWWVJQE","inchi_key":"PDNRMSRZWWVJQE-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc2oc(nc2c1)c3cccc(NC(=O)c4cc(ccc4Cl)n5cnnc5)c3","pubchem_cid":"1017704","chembl_id":"CHEMBL1578303","molregno":1002187,"PubChem_ID":"1017704","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91568452","pert_iname":"BRD-K91568452","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QGQQAQHDJARTFG","inchi_key":"QGQQAQHDJARTFG-FHAGJXEFSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCOCC2)Oc3cc(ccc3S1(=O)=O)C4=CCCCC4","pubchem_cid":"54619367"}
{"pert_id":"BRD-K91579227","pert_iname":"SA-103013","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IELFLNMYHKZCGM","inchi_key":"IELFLNMYHKZCGM-DOKVQHETSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)OCCCC[C@@H](C)Oc4ccc(NS(=O)(=O)c5cccs5)cc4C1=O","pubchem_cid":"44504326"}
{"pert_id":"BRD-K91600270","pert_iname":"BRD-K91600270","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UHRURSJIJOASOW","inchi_key":"UHRURSJIJOASOW-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)C1CCN(CC1)C(=O)C(C)(C)NC(=O)Nc1ccc(cc1)N(C)C","pubchem_cid":"60138130"}
{"pert_id":"BRD-K91601245","pert_iname":"mercaptopurine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GLVAUDGFNGKCSF","inchi_key":"GLVAUDGFNGKCSF-UHFFFAOYSA-N","canonical_smiles":"S=c1[nH]cnc2nc[nH]c12","pubchem_cid":"2724350","MOA":"Immunosuppressant; Protein synthesis inhibitor; Purine antagonist","chembl_id":"CHEMBL1200751","molregno":674702,"PubChem_ID":"2724350","pref_name":"MERCAPTOPURINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1953,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"usan_stem":"-apt-","usan_stem_definition":"aptamers, classical and mirror","indication_class":"Antineoplastic","withdrawn_flag":0,"mechanism_of_action":"Amidophosphoribosyltransferase inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Prodrug enzyme: hypoxanthine-guanine phosphoribosyl transferase (HGPRT; ec 2.4.2.8)"}
{"pert_id":"BRD-K91614993","pert_iname":"BRD-K91614993","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"OIINTCWPDRSIGA","inchi_key":"OIINTCWPDRSIGA-UHFFFAOYSA-N","canonical_smiles":"COc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1CC(O)=O","pubchem_cid":"73707618"}
{"pert_id":"BRD-K91617567","pert_iname":"BRD-K91617567","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"TXGYYWCQXDVHML","inchi_key":"TXGYYWCQXDVHML-ULIDOWHDSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(F)(F)F)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3C1=O","pubchem_cid":"44493338","chembl_id":"CHEMBL2133950","molregno":1405901,"PubChem_ID":"44493338","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91623615","pert_iname":"ABT-751","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"URCVCIZFVQDVPM","inchi_key":"URCVCIZFVQDVPM-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1)S(=O)(=O)Nc1cccnc1Nc1ccc(O)cc1","pubchem_cid":"3035714","MOA":"Tubulin inhibitor","chembl_id":"CHEMBL20684","molregno":24217,"PubChem_ID":"3035714","DrugBank_ID":"DB12254","pref_name":"ABT-751","max_phase":2,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-K91633589","pert_iname":"BRD-K91633589","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XFJSJULDCDPUBQ","inchi_key":"XFJSJULDCDPUBQ-PSXRRJEGSA-N","canonical_smiles":"O[C@H]1COC[C@@H]2O[C@H](CC(=O)Nc3ccc(cc3)-c3ccccc3)CC[C@H]2N(C1)S(=O)(=O)c1ccccc1","pubchem_cid":"54659596"}
{"pert_id":"BRD-K91663486","pert_iname":"BRD-K91663486","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZAHXKZOKOUSJMC","inchi_key":"ZAHXKZOKOUSJMC-AGVMNQFGSA-N","canonical_smiles":"CN(C)CC(=O)N1CCCCN2[C@@H](CO)[C@H]([C@@H]2C1)c1ccc(\\C=C\\c2ccccc2)cc1","pubchem_cid":"54666678","chembl_id":"CHEMBL3188797","molregno":1678088,"PubChem_ID":"54666678","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K91671201","pert_iname":"BRD-K91671201","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WILPFKVTYXJQQV","inchi_key":"WILPFKVTYXJQQV-XYGWBWBKSA-N","canonical_smiles":"OS(=O)(=O)CCN1C(=S)S\\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3Cl)cc2)-c2ccccc2)C1=O","pubchem_cid":"6274486","chembl_id":"CHEMBL567069","molregno":583151,"PubChem_ID":"6274486","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K94412749","pert_iname":"BRD-K94412749","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GUMGJXGNMICTIG","inchi_key":"GUMGJXGNMICTIG-ISTJGCCRSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)Oc3ccc(NC(=O)CCCCCC(=O)Nc4ccccc4N)cc3CC1=O","pubchem_cid":"44507239"}
{"pert_id":"BRD-K94412972","pert_iname":"dihydrorobustic-acid","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WJMJXJYEGROEHH","inchi_key":"WJMJXJYEGROEHH-UHFFFAOYSA-N","canonical_smiles":"COc1ccc(cc1)c2c(O)c3c(OC)c4CCC(C)(C)Oc4cc3oc2=O","pubchem_cid":"54686939","chembl_id":"CHEMBL1438224","molregno":862108,"PubChem_ID":"54686939","pref_name":"DIHYDROROBUSTIC ACID","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K94436377","pert_iname":"diosmin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GZSOSUNBTXMUFQ","inchi_key":"GZSOSUNBTXMUFQ-YFAPSIMESA-N","canonical_smiles":"COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1","pubchem_cid":"5281613","chembl_id":"CHEMBL231884","molregno":393440,"PubChem_ID":"5281613","DrugBank_ID":"DB08995","pref_name":"DIOSMIN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"availability_type":-1,"withdrawn_flag":0,"mechanism_of_action":"Unknown","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Diosmin (diosmetin 7-O-rutinoside), is a natural flavone glycoside which is indicated for the treatment of hemorrhoids, lymphedema and varicose veins. It is well known to possess antiinflammatory, antioxidant, antimutagenic and anti-hyperlipidemic properties. It has been reported that diosmin significantly increased the transport of digoxin and cellular accumulation of rhodamine-123 in Caco-2 cells by inhibition of P-gp-mediated efflux. It has also been reported a protective mechanisms on LPS-induced lung injury through inhibition of T cell receptors, pro-inflammatory cytokines and NF-kB activation."}
{"pert_id":"BRD-K94493764","pert_iname":"BRD-K94493764","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BFKWUALLEWQMII","inchi_key":"BFKWUALLEWQMII-UHFFFAOYSA-N","canonical_smiles":"COC(=O)c1ccc(O)c2oc3cc(CO)cc(O)c3c(=O)c12","pubchem_cid":"23928086"}
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{"pert_id":"BRD-K94544211","pert_iname":"BRD-K94544211","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VYCOOHAMPRTWAW","inchi_key":"VYCOOHAMPRTWAW-YFGINYGOSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)c3ccccc3)Oc4ccc(NC(=O)CCCCCC(=O)Nc5ccccc5N)cc4CC1=O","pubchem_cid":"44507263"}
{"pert_id":"BRD-K94572506","pert_iname":"BRD-K94572506","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BSXOMXZEQWAYJE","inchi_key":"BSXOMXZEQWAYJE-UHFFFAOYSA-N","canonical_smiles":"Cn1c2ccccc2c3nnc(SCC(=O)c4ccc(Cl)cc4)nc13","pubchem_cid":"6403456"}
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{"pert_id":"BRD-K94633563","pert_iname":"BRD-K94633563","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HTBVGGFTFZKUKZ","inchi_key":"HTBVGGFTFZKUKZ-QYUJLGCLSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc3ccc(NC(=O)Cc4cn(C)c5ccccc45)cc3CC1=O","pubchem_cid":"44619469"}
{"pert_id":"BRD-K94649603","pert_iname":"taxifolin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CXQWRCVTCMQVQX","inchi_key":"CXQWRCVTCMQVQX-LSDHHAIUSA-N","canonical_smiles":"O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1","pubchem_cid":"439533","MOA":"Opioid receptor antagonist","chembl_id":"CHEMBL66","molregno":5261,"PubChem_ID":"439533","DrugBank_ID":"DB02224","pref_name":"(+)-TAXIFOLIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K94689771","pert_iname":"pinocembrin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"URFCJEUYXNAHFI","inchi_key":"URFCJEUYXNAHFI-ZDUSSCGKSA-N","canonical_smiles":"Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1","pubchem_cid":"68071","MOA":"CYP1B1 inhibitor","chembl_id":"CHEMBL399910","molregno":418570,"PubChem_ID":"68071","pref_name":"PINOCEMBRIN","max_phase":2,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-K94719962","pert_iname":"BRD-K94719962","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LQGLWQDMHHJODC","inchi_key":"LQGLWQDMHHJODC-YPAWHYETSA-N","canonical_smiles":"OC[C@H]1N[C@H](CNC(=O)C2CCC2)[C@H]1c1ccc(cc1)-c1cccc(c1)C#N","pubchem_cid":"60182680"}
{"pert_id":"BRD-K94725447","pert_iname":"BRD-K94725447","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NWLXXCWQRNKJOL","inchi_key":"NWLXXCWQRNKJOL-IIOCKGBISA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3C1=O","pubchem_cid":"54615628"}
{"pert_id":"BRD-K94740841","pert_iname":"BRD-K94740841","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FCVPSBUWBQZYJZ","inchi_key":"FCVPSBUWBQZYJZ-SANMLTNESA-N","canonical_smiles":"COc1ccc(NC(=O)N2CC[C@@]3(CC2)CN([C@@H](CO)c2c3c3ccc(OC)cc3n2C)C(=O)C2CCC2)cc1","pubchem_cid":"60189682","chembl_id":"CHEMBL3561202","molregno":1942953,"PubChem_ID":"60189682","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K94766884","pert_iname":"BRD-K94766884","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HVNBSBCCDAKDPU","inchi_key":"HVNBSBCCDAKDPU-OTPAQWSUSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc3cc(C#CCN(C)C)ccc3S1(=O)=O","pubchem_cid":"54618840"}
{"pert_id":"BRD-K94830329","pert_iname":"ataluren","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OOUGLTULBSNHNF","inchi_key":"OOUGLTULBSNHNF-UHFFFAOYSA-N","canonical_smiles":"OC(=O)c1cccc(c1)-c1noc(n1)-c1ccccc1F","pubchem_cid":"11219835","MOA":"CFTR channel agonist; Dystrophin stimulant","chembl_id":"CHEMBL256997","molregno":426110,"PubChem_ID":"11219835","DrugBank_ID":"DB05016","pref_name":"ATALUREN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2008,"availability_type":-1,"usan_stem":"-luren","usan_stem_definition":"inducers of ribossomal readthrough of nonsense mutation mRNA stop codons","withdrawn_flag":0}
{"pert_id":"BRD-K94832621","pert_iname":"Y-134","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LQEOPHGPHCWOAC","inchi_key":"LQEOPHGPHCWOAC-UHFFFAOYSA-N","canonical_smiles":"CC(C)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1","pubchem_cid":"11784736","MOA":"Estrogen receptor antagonist","chembl_id":"CHEMBL178334","molregno":301584,"PubChem_ID":"11784736","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K94841585","pert_iname":"emodic-acid","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"ZJXVNNSMRGTDBI","inchi_key":"ZJXVNNSMRGTDBI-UHFFFAOYSA-N","canonical_smiles":"OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1","pubchem_cid":"361510","MOA":"Laxative","chembl_id":"CHEMBL290914","molregno":60655,"PubChem_ID":"361510","pref_name":"EMODIC ACID","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K94848716","pert_iname":"carbarsone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WWXBHTZSYYGCSG","inchi_key":"WWXBHTZSYYGCSG-UHFFFAOYSA-N","canonical_smiles":"NC(=O)Nc1ccc(cc1)[As](O)(O)=O","pubchem_cid":"8480","chembl_id":"CHEMBL1331366","molregno":755250,"PubChem_ID":"8480","DrugBank_ID":"DB11382","pref_name":"CARBARSONE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K94887716","pert_iname":"TFMPP","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"KKIMDKMETPPURN","inchi_key":"KKIMDKMETPPURN-UHFFFAOYSA-N","canonical_smiles":"FC(F)(F)c1cccc(c1)N2CCNCC2","pubchem_cid":"4296","MOA":"Serotonin receptor agonist; Serotonin receptor antagonist","chembl_id":"CHEMBL274866","molregno":6182,"PubChem_ID":"4296","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K94919853","pert_iname":"10H-phenothiazin-10-yl)(p-tolyl)methanone","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BXCIQPXSBSOIQX","inchi_key":"BXCIQPXSBSOIQX-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(cc1)C(=O)N2c3ccccc3Sc4ccccc24","pubchem_cid":"3473393","MOA":"Butyrylcholinesterase inhibitor","chembl_id":"CHEMBL397100","molregno":401708,"PubChem_ID":"3473393","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K94920105","pert_iname":"DR-2313","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"HRYKZAKEAVZGJD","inchi_key":"HRYKZAKEAVZGJD-UHFFFAOYSA-N","canonical_smiles":"Cc1nc(=O)c2CSCCc2[nH]1","pubchem_cid":"135522417","MOA":"PARP inhibitor","chembl_id":"CHEMBL483348","molregno":520178,"PubChem_ID":"135522417","DrugBank_ID":"DB07677","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-K95080525","pert_iname":"BRD-K95080525","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YOHJBMUZJDYHAD","inchi_key":"YOHJBMUZJDYHAD-UHFFFAOYSA-N","canonical_smiles":"CN(C)c1ccc(cc1)C(=O)OCC#CCSc2nnc(o2)c3cccc4ccccc34","pubchem_cid":"44142082","chembl_id":"CHEMBL1269897","molregno":709134,"PubChem_ID":"44142082","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K95080859","pert_iname":"BRD-K95080859","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GRZYSBZPIRQMCQ","inchi_key":"GRZYSBZPIRQMCQ-LFIBNONCSA-N","canonical_smiles":"Cc1ccccc1/C=N/NC(=O)CCCCCC(=O)O","pubchem_cid":"23892245"}
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{"pert_id":"BRD-K97810537","pert_iname":"beclomethasone-dipropionate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"KUVIULQEHSCUHY","inchi_key":"KUVIULQEHSCUHY-XYWKZLDCSA-N","canonical_smiles":"CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C","pubchem_cid":"21700","chembl_id":"CHEMBL1200500","molregno":674451,"PubChem_ID":"21700","DrugBank_ID":"DB00394","pref_name":"BECLOMETHASONE DIPROPIONATE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1976,"oral":0,"parenteral":0,"topical":1,"natural_product":1,"inorganic_flag":0,"usan_year":1973,"availability_type":1,"indication_class":"Glucocorticoid","withdrawn_flag":0,"mechanism_of_action":"Glucocorticoid receptor agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
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{"pert_id":"BRD-K97972722","pert_iname":"BRD-K97972722","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NHCHRXXZNQAEEO","inchi_key":"NHCHRXXZNQAEEO-LWPQGVMLSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)Oc3ccc(NC(=O)Cc4cn(C)c5ccccc45)cc3C1=O","pubchem_cid":"44485990"}
{"pert_id":"BRD-K97973721","pert_iname":"BRD-K97973721","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YYSQTLJNJWYMNJ","inchi_key":"YYSQTLJNJWYMNJ-CWFKBQJKSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)Oc3ccc(NC(=O)c4ccccc4)cc3C1=O","pubchem_cid":"44616514"}
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{"pert_id":"BRD-K98064019","pert_iname":"BRD-K98064019","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NBMYFHNRSCNDIP","inchi_key":"NBMYFHNRSCNDIP-BXOOBUKZSA-N","canonical_smiles":"COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)C(=O)Nc4ccccc4)[C@H](C)CN([C@@H](C)CO)C(=O)Cc3c2)cc1","pubchem_cid":"49843374"}
{"pert_id":"BRD-K98079119","pert_iname":"BRD-K98079119","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KACYLRIMDWFDRT","inchi_key":"KACYLRIMDWFDRT-UHFFFAOYSA-N","canonical_smiles":"OC(c1ccc(NC(=O)c2ccc(F)cc2F)cc1)(C(F)(F)F)C(F)(F)F","pubchem_cid":"44241432"}
{"pert_id":"BRD-K98109757","pert_iname":"cyclopentene","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"8882","chembl_id":"CHEMBL1797299","molregno":1160357,"PubChem_ID":"8882","pref_name":"CYCLOPENTENE","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98150670","pert_iname":"BRD-K98150670","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HSZCUBFTTZDVGX","inchi_key":"HSZCUBFTTZDVGX-ZENTWMBTSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc3ccc(NC(=O)C4CC4)cc3CC1=O","pubchem_cid":"44487620","chembl_id":"CHEMBL2360006","molregno":1537195,"PubChem_ID":"44487620","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98157055","pert_iname":"SIB-1757","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LOCPVWIREQIGNQ","inchi_key":"LOCPVWIREQIGNQ-UHFFFAOYSA-N","canonical_smiles":"Cc1ccc(O)c(N=Nc2ccccc2)n1","pubchem_cid":"6304902","MOA":"Glutamate receptor antagonist"}
{"pert_id":"BRD-K98161915","pert_iname":"BRD-K98161915","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AZNYJAZMHSMGDJ","inchi_key":"AZNYJAZMHSMGDJ-RXYILKCJSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCCC2)Oc3ccc(NC(=O)c4ccncc4)cc3CC1=O","pubchem_cid":"44619237"}
{"pert_id":"BRD-K98173387","pert_iname":"BRD-K98173387","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ICGJMQLTLREJES","inchi_key":"ICGJMQLTLREJES-BOPFTXTBSA-N","canonical_smiles":"OC(=O)CCN1C(=S)S\\C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O","pubchem_cid":"44807133","chembl_id":"CHEMBL1711502","molregno":1092233,"PubChem_ID":"44807133","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98174813","pert_iname":"chlorzoxazone","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"TZFWDZFKRBELIQ","inchi_key":"TZFWDZFKRBELIQ-UHFFFAOYSA-N","canonical_smiles":"Clc1ccc2oc(=O)[nH]c2c1","pubchem_cid":"2733","chembl_id":"CHEMBL1371","molregno":315123,"PubChem_ID":"2733","DrugBank_ID":"DB00356","pref_name":"CHLORZOXAZONE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1958,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"availability_type":1,"indication_class":"Relaxant (skeletal muscle)","withdrawn_flag":0,"mechanism_of_action":"Intermediate conductance calcium-activated potassium channel protein 4 opener","action_type":"OPENER","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K98196975","pert_iname":"BRD-K98196975","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"IOGICXGLCRDSGV","inchi_key":"IOGICXGLCRDSGV-NWPSSHFQSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(F)(F)F)OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3C1=O","pubchem_cid":"54616112"}
{"pert_id":"BRD-K98219271","pert_iname":"BRD-K98219271","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WXBVFZVJSITTKR","inchi_key":"WXBVFZVJSITTKR-UHFFFAOYSA-N","canonical_smiles":"CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N3CCN(CC3)c4ccc(cc4)[N+](=O)[O-]","pubchem_cid":"4832119","chembl_id":"CHEMBL1585996","molregno":1009880,"PubChem_ID":"4832119","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98288062","pert_iname":"BRD-K98288062","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YDPIGORIELAHMG","inchi_key":"YDPIGORIELAHMG-UHFFFAOYSA-N","canonical_smiles":"Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc(F)c1","pubchem_cid":"44460137","chembl_id":"CHEMBL1270506","molregno":709749,"PubChem_ID":"44460137","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98297262","pert_iname":"BRD-K98297262","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HDFGOPSGAURCEO","inchi_key":"HDFGOPSGAURCEO-UHFFFAOYSA-N","canonical_smiles":"CCN1C(=O)C=CC1=O","pubchem_cid":"NotFound"}
{"pert_id":"BRD-K98327170","pert_iname":"BRD-K98327170","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PWLXUYPVTOGJHT","inchi_key":"PWLXUYPVTOGJHT-PIMCHDTMSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCCCC2)OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3C1=O","pubchem_cid":"44616782"}
{"pert_id":"BRD-K98333955","pert_iname":"NVP-AEW541","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MJEHBQIPZHTMNZ","inchi_key":"MJEHBQIPZHTMNZ-AQYVVDRMSA-N","canonical_smiles":"Nc1ncnc2n(cc(-c3ccc(OCc4ccccc4)cc3)c12)[C@H]1C[C@H](CN2CCC2)C1","pubchem_cid":"46881851"}
{"pert_id":"BRD-K98336812","pert_iname":"BRD-K98336812","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FKZGNJDEHYUJGJ","inchi_key":"FKZGNJDEHYUJGJ-UHFFFAOYSA-O","canonical_smiles":"C[N+](C)(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc12","pubchem_cid":"12333113"}
{"pert_id":"BRD-K98339888","pert_iname":"SA-419172","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QPXXSBPXMIWUTR","inchi_key":"QPXXSBPXMIWUTR-JBYIUTFZSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(O)cc2)OCc3cnnn3CCCC1=O","pubchem_cid":"44505490"}
{"pert_id":"BRD-K98372770","pert_iname":"L-2167","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HBBVCKCCQCQCTJ","inchi_key":"HBBVCKCCQCQCTJ-UHFFFAOYSA-N","canonical_smiles":"CCCc1c(OCCCOc2ccc(OCC(O)=O)cc2)ccc(C(C)=O)c1O","pubchem_cid":"6603901","chembl_id":"CHEMBL153057","molregno":253642,"PubChem_ID":"6603901","DrugBank_ID":"DB08078","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98381590","pert_iname":"RAN-07","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RPGHTMMYAWEOGC","inchi_key":"RPGHTMMYAWEOGC-LLVKDONJSA-N","canonical_smiles":"C[C@@H](Nc1nc(Cl)nc2ccccc12)c3ccccc3","pubchem_cid":"1993104"}
{"pert_id":"BRD-K98404142","pert_iname":"BRD-K98404142","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CWVMWSZEMZOUPC","inchi_key":"CWVMWSZEMZOUPC-RWUIUEHLSA-N","canonical_smiles":"C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]2C[C@H](Br)C1=O","pubchem_cid":"16219061"}
{"pert_id":"BRD-K98426715","pert_iname":"tubacin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"BHUZLJOUHMBZQY","inchi_key":"BHUZLJOUHMBZQY-YXQOSMAKSA-N","canonical_smiles":"OCc1ccc(cc1)[C@@H]2C[C@H](CSc3nc(c(o3)c4ccccc4)c5ccccc5)O[C@@H](O2)c6ccc(NC(=O)CCCCCCC(=O)NO)cc6","pubchem_cid":"6675804","MOA":"HDAC inhibitor","chembl_id":"CHEMBL356769","molregno":239841,"PubChem_ID":"6675804","pref_name":"TUBACIN","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98427832","pert_iname":"BRD-K98427832","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DUKXZLKTXLAZHK","inchi_key":"DUKXZLKTXLAZHK-CEMVDLCSSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C1=O","pubchem_cid":"54617209"}
{"pert_id":"BRD-K98437249","pert_iname":"BRD-K98437249","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"AIBBTECRVWULHH","inchi_key":"AIBBTECRVWULHH-RGYUWNBKSA-N","canonical_smiles":"CC(C)NC(=O)Nc1ccc2O[C@H](C)CCCCO[C@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2c1","pubchem_cid":"44490906"}
{"pert_id":"BRD-K98439022","pert_iname":"BRD-K98439022","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NEHMBGOWUSGTLI","inchi_key":"NEHMBGOWUSGTLI-OAHLLOKOSA-N","canonical_smiles":"Fc1ccc(c(F)c1)-n1ncc2[C@@H](CCCc12)NC(=O)c1ccccn1","pubchem_cid":"42288156"}
{"pert_id":"BRD-K98471960","pert_iname":"BRD-K98471960","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XYLRKRISJMFHFX","inchi_key":"XYLRKRISJMFHFX-DOYHNPMNSA-N","canonical_smiles":"CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)[C@H](CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2)OC","pubchem_cid":"54649488"}
{"pert_id":"BRD-K98490050","pert_iname":"amsacrine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JRNUZHHDXNSOMO","inchi_key":"JRNUZHHDXNSOMO-UHFFFAOYSA-N","canonical_smiles":"COc1cc(NS(=O)(=O)C)ccc1Cc2c3ccccc3nc4ccccc24","pubchem_cid":"2179","MOA":"Topoisomerase inhibitor","chembl_id":"CHEMBL43","molregno":2580,"PubChem_ID":"2179","DrugBank_ID":"DB00276","pref_name":"AMSACRINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1980,"availability_type":-1,"usan_stem":"-crine","usan_stem_definition":"acridine derivatives","indication_class":"Antineoplastic","withdrawn_flag":0,"mechanism_of_action":"DNA topoisomerase II inhibitor","action_type":"INHIBITOR","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Amsacrine may intercalate into DNA and inhibit topoisomerase II, resulting in DNA double-strand breaks, arrest of the S/G2 phase of the cell cycle, and cell death. This agent's cytotoxicity is maximal during the S phase of the cell cycle when topoisomerase levels are greatest. In addition, amsacrine may induce transcription of tumor promoter p53 protein and block p53 ubiquitination and proteasomal degradation, resulting in p53-dependent tumor cell apoptosis."}
{"pert_id":"BRD-K98493452","pert_iname":"honokiol","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"FVYXIJYOAGAUQK","inchi_key":"FVYXIJYOAGAUQK-UHFFFAOYSA-N","canonical_smiles":"Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O","pubchem_cid":"72303","MOA":"AKT inhibitor","chembl_id":"CHEMBL16901","molregno":18078,"PubChem_ID":"72303","pref_name":"HONOKIOL","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98519396","pert_iname":"BRD-K98519396","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FCWYNTDTQPCVPG","inchi_key":"FCWYNTDTQPCVPG-XLRKYUMYSA-N","canonical_smiles":"CC1(C)[C@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(=C)CC[C@H]12","pubchem_cid":"7067264","chembl_id":"CHEMBL178485","molregno":294409,"PubChem_ID":"7067264","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98530306","pert_iname":"clonidine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GJSURZIOUXUGAL","inchi_key":"GJSURZIOUXUGAL-UHFFFAOYSA-N","canonical_smiles":"Clc1cccc(Cl)c1N=C1NCCN1","pubchem_cid":"2803","MOA":"Adrenergic receptor agonist","chembl_id":"CHEMBL134","molregno":27609,"PubChem_ID":"2803","DrugBank_ID":"DB00575","pref_name":"CLONIDINE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1974,"oral":1,"parenteral":1,"topical":1,"natural_product":0,"inorganic_flag":0,"usan_year":1969,"availability_type":1,"indication_class":"Antihypertensive","withdrawn_flag":0,"mechanism_of_action":"Adrenergic receptor alpha-2 agonist","action_type":"AGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-K98546361","pert_iname":"BRD-K98546361","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XODFSYDXGSMTSO","inchi_key":"XODFSYDXGSMTSO-UHFFFAOYSA-N","canonical_smiles":"O=C(Cn1nc(-c2ccccc2)c2ccccc12)Oc1ccccc1","pubchem_cid":"49835857"}
{"pert_id":"BRD-K98560805","pert_iname":"BRD-K98560805","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"QSEJYNGOCYTBNI","inchi_key":"QSEJYNGOCYTBNI-WOVHNISZSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccn2)Oc3cc(ccc3S1(=O)=O)C4=CCCCC4","pubchem_cid":"54630690"}
{"pert_id":"BRD-K98575502","pert_iname":"BRD-K98575502","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"JQXOSOSQEZWUGN","inchi_key":"JQXOSOSQEZWUGN-UHFFFAOYSA-N","canonical_smiles":"CCOc1ccc(cc1)-c1nc(CSCC(=O)NCC#C)c(C)o1","pubchem_cid":"50898054"}
{"pert_id":"BRD-K98621344","pert_iname":"BRD-K98621344","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"GQEOHDGNFBZEER","inchi_key":"GQEOHDGNFBZEER-DNVFCKCGSA-N","canonical_smiles":"CCCN(C)C[C@H]1Oc2cc(ccc2S(=O)(=O)N(C[C@H]1C)[C@H](C)CO)C3=CCCCC3","pubchem_cid":"54619574"}
{"pert_id":"BRD-K98624380","pert_iname":"BRD-K98624380","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZCWFLIQXFDCFQH","inchi_key":"ZCWFLIQXFDCFQH-GSDPCRBASA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccncc2)OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccncc4)cc3C1=O","pubchem_cid":"44494414"}
{"pert_id":"BRD-K98626176","pert_iname":"BRD-K98626176","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VOCYCOKXIBOWBC","inchi_key":"VOCYCOKXIBOWBC-ZMPRRUGASA-N","canonical_smiles":"CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@H](C)NC[C@H]1C","pubchem_cid":"54631472"}
{"pert_id":"BRD-K98630904","pert_iname":"SD-6-035-A2","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WIYHORLWMFSPCL","inchi_key":"WIYHORLWMFSPCL-UBWFJNMSSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3OCOc3c2)OCCCC[C@@H](C)Oc4ccc(cc4C1=O)N(C)C","pubchem_cid":"49842983"}
{"pert_id":"BRD-K98634983","pert_iname":"BRD-K98634983","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZJNHBAZEMXVLLT","inchi_key":"ZJNHBAZEMXVLLT-IZLGUCAESA-N","canonical_smiles":"OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)/C=N/NC(=O)CCCCC(=O)NO","pubchem_cid":"73707342"}
{"pert_id":"BRD-K98645985","pert_iname":"BRD-K98645985","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DZGZFXRKNSZUSK","inchi_key":"DZGZFXRKNSZUSK-MKGJDZFWSA-N","canonical_smiles":"CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccc(cc2)-c2ccccn2)C[C@@H]1C","pubchem_cid":"54633693","chembl_id":"CHEMBL2130605","molregno":1402556,"PubChem_ID":"54633693","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98676510","pert_iname":"BRD-K98676510","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UHFORHOCMLAKFU","inchi_key":"UHFORHOCMLAKFU-UHFFFAOYSA-N","canonical_smiles":"OC(c1ccc(NS(=O)(=O)c2ccc(s2)-c2ccccn2)cc1)(C(F)(F)F)C(F)(F)F","pubchem_cid":"44241405"}
{"pert_id":"BRD-K98684188","pert_iname":"GSK-0660","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NDFKBGWLUHKMFY","inchi_key":"NDFKBGWLUHKMFY-UHFFFAOYSA-N","canonical_smiles":"COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC","pubchem_cid":"46233311","MOA":"PPAR receptor antagonist","chembl_id":"CHEMBL592652","molregno":603730,"PubChem_ID":"46233311","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98710661","pert_iname":"BRD-K98710661","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KMOMJLPASCAXGN","inchi_key":"KMOMJLPASCAXGN-HSZRJFAPSA-N","canonical_smiles":"COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(F)c1)C[C@]31CCN(CC1)C(C)=O","pubchem_cid":"60185184","chembl_id":"CHEMBL3561304","molregno":1943055,"PubChem_ID":"60185184","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98714523","pert_iname":"SA-103006","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"MAFQTNOLKRXSIQ","inchi_key":"MAFQTNOLKRXSIQ-YTNVWYNJSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C1=O","pubchem_cid":"44501814"}
{"pert_id":"BRD-K98731749","pert_iname":"BRD-K98731749","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XGMQKVJTWVADHD","inchi_key":"XGMQKVJTWVADHD-MCYUDXQTSA-N","canonical_smiles":"COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3C(=O)N(C[C@H]2C)[C@H](C)CO)cc1","pubchem_cid":"44618522","chembl_id":"CHEMBL2359502","molregno":1536691,"PubChem_ID":"44618522","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98739056","pert_iname":"BRD-K98739056","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XHCFGJIATIGRMD","inchi_key":"XHCFGJIATIGRMD-UTKFAANNSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)Oc4c(NC(=O)Nc5ccccc5)cccc4C1=O","pubchem_cid":"44506777","chembl_id":"CHEMBL2141840","molregno":1413791,"PubChem_ID":"44506777","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98762074","pert_iname":"HG-6-64-01","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UMBFDGUGXMOMHX","inchi_key":"UMBFDGUGXMOMHX-BQYQJAHWSA-N","canonical_smiles":"CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\\C=C\\c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1","pubchem_cid":"53302361","MOA":"RAF inhibitor"}
{"pert_id":"BRD-K98763141","pert_iname":"niflumic-acid","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"JZFPYUNJRRFVQU","inchi_key":"JZFPYUNJRRFVQU-UHFFFAOYSA-N","canonical_smiles":"OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F","pubchem_cid":"4488","MOA":"Cyclooxygenase inhibitor","chembl_id":"CHEMBL63323","molregno":97010,"PubChem_ID":"4488","DrugBank_ID":"DB04552","pref_name":"NIFLUMIC ACID","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"withdrawn_flag":0}
{"pert_id":"BRD-K98769987","pert_iname":"flumazenil","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OFBIFZUFASYYRE","inchi_key":"OFBIFZUFASYYRE-UHFFFAOYSA-N","canonical_smiles":"CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21","pubchem_cid":"3373","MOA":"Benzodiazepine receptor antagonist","chembl_id":"CHEMBL407","molregno":635,"PubChem_ID":"3373","DrugBank_ID":"DB01205","pref_name":"FLUMAZENIL","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1991,"oral":0,"parenteral":1,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":1987,"availability_type":1,"usan_stem":"-azenil","usan_stem_definition":"benzodiazepine receptor (agonists/antagonists)","indication_class":"Antagonist (to benzodiazepine)","withdrawn_flag":0,"mechanism_of_action":"GABA-A receptor; anion channel allosteric antagonist","action_type":"ALLOSTERIC ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1,"mechanism_comment":"Antagonist at benzodiazepine site to treat overdose"}
{"pert_id":"BRD-K98790311","pert_iname":"BRD-K98790311","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"KFKPEQDLMUYLFP","inchi_key":"KFKPEQDLMUYLFP-ZYLNGJIFSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCC2)Oc3ncc(cc3C1=O)C4=CCCCC4","pubchem_cid":"54620190"}
{"pert_id":"BRD-K98803880","pert_iname":"BRD-K98803880","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XXZIILLLBOPLBY","inchi_key":"XXZIILLLBOPLBY-ISJRUSPKSA-N","canonical_smiles":"C[C@@H](O)C#Cc1cnc2O[C@H](CN(C)C(=O)Cc3ccncc3)[C@H](C)CN([C@@H](C)CO)C(=O)c2c1","pubchem_cid":"54618470"}
{"pert_id":"BRD-K98822179","pert_iname":"BRD-K98822179","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"XINMNOWMZQSCNC","inchi_key":"XINMNOWMZQSCNC-QPXUXIHVSA-N","canonical_smiles":"O[C@H]1COC[C@@H]2O[C@H](CC(=O)NCCc3ccncc3)CC[C@H]2N(Cc2cccc(F)c2)C1","pubchem_cid":"54659792"}
{"pert_id":"BRD-K98824517","pert_iname":"BRD-K98824517","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BMHKZVDHCKLDME","inchi_key":"BMHKZVDHCKLDME-MDZDMXLPSA-N","canonical_smiles":"CCn1nc(/C=C/c2ccccc2)nc3c(=O)n(C)c(=O)nc13","pubchem_cid":"5756371","chembl_id":"CHEMBL599924","molregno":588098,"PubChem_ID":"5756371","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98832591","pert_iname":"BRD-K98832591","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BCUCLIMAYGDMQB","inchi_key":"BCUCLIMAYGDMQB-OYJDADHOSA-N","canonical_smiles":"C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)Oc4ccc(NC(=O)Nc5ccc(F)cc5)cc4CC1=O","pubchem_cid":"44617482"}
{"pert_id":"BRD-K98834634","pert_iname":"BRD-K98834634","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"VYCOOHAMPRTWAW","inchi_key":"VYCOOHAMPRTWAW-VEFCPFGPSA-N","canonical_smiles":"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(cc2)c3ccccc3)Oc4ccc(NC(=O)CCCCCC(=O)Nc5ccccc5N)cc4CC1=O","pubchem_cid":"44507216","chembl_id":"CHEMBL2135524","molregno":1407475,"PubChem_ID":"44507216","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98850601","pert_iname":"BRD-K98850601","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"YDHXSWOLXDIZHC","inchi_key":"YDHXSWOLXDIZHC-JWRSUQAPSA-N","canonical_smiles":"CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)[C@@H](CN(C)C(=O)c3cc(ccc3OC[C@H]1O2)C#N)OC","pubchem_cid":"54649525"}
{"pert_id":"BRD-K98856658","pert_iname":"BRD-K98856658","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BXJYYWCZOQPVNC","inchi_key":"BXJYYWCZOQPVNC-UHFFFAOYSA-N","canonical_smiles":"COc1cccc(c1)c2csc(n2)N3CCN(CC3)C(=Nc4cccc(Cl)c4)S","pubchem_cid":"3223669","chembl_id":"CHEMBL1576423","molregno":1000307,"PubChem_ID":"3223669","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98896788","pert_iname":"BRD-K98896788","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ATJMFQQXDOTDTE","inchi_key":"ATJMFQQXDOTDTE-BXOOBUKZSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2F)Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C1=O","pubchem_cid":"46907806","chembl_id":"CHEMBL1881973","molregno":1222544,"PubChem_ID":"46907806","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98936959","pert_iname":"BRD-K98936959","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CBAAPWVHONFTKW","inchi_key":"CBAAPWVHONFTKW-KOVGSKFNSA-N","canonical_smiles":"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(F)(F)F)OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4c(C)noc4C)cc3C1=O","pubchem_cid":"44618011","chembl_id":"CHEMBL2360586","molregno":1537775,"PubChem_ID":"44618011","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98945308","pert_iname":"BRD-K98945308","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"FPMJOPUHYZGMQU","inchi_key":"FPMJOPUHYZGMQU-JYAXBFRTSA-N","canonical_smiles":"O[C@@H]1COC[C@H]2O[C@H](CC(=O)NCc3ccncn3)CC[C@@H]2N(C1)S(=O)(=O)c1cccc(F)c1","pubchem_cid":"54657652"}
{"pert_id":"BRD-K98948170","pert_iname":"BRD-K98948170","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"LNENLABLFGGAFF","inchi_key":"LNENLABLFGGAFF-BHIFYINESA-N","canonical_smiles":"OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O","pubchem_cid":"56840728","chembl_id":"CHEMBL2381968","molregno":1561382,"PubChem_ID":"56840728","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-K98991361","pert_iname":"BRD-K98991361","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WLFFAEBDQNWOJY","inchi_key":"WLFFAEBDQNWOJY-UHFFFAOYSA-N","canonical_smiles":"CC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1","pubchem_cid":"792012","chembl_id":"CHEMBL1714116","molregno":1094847,"PubChem_ID":"792012","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
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{"pert_id":"BRD-M15413738","pert_iname":"dihydrostreptomycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DLNWBHHJUACHNB","inchi_key":"DLNWBHHJUACHNB-SNGKZNBCSA-N","canonical_smiles":"CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO.CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO","pubchem_cid":"73707353"}
{"pert_id":"BRD-M16214895","pert_iname":"BRD-M16214895","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"BSHWDEUVZCKCOX","inchi_key":"BSHWDEUVZCKCOX-UHFFFAOYSA-N","canonical_smiles":"CN1CC(=O)NC1=N.COc1cc(O)cc2c(CCN)c[nH]c12","pubchem_cid":"73707565"}
{"pert_id":"BRD-M18219129","pert_iname":"guanethidine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CFNALAYLIAMBNX","inchi_key":"CFNALAYLIAMBNX-UHFFFAOYSA-N","canonical_smiles":"NC(=N)NCCN1CCCCCCC1.NC(=N)NCCN1CCCCCCC1","pubchem_cid":"73707360"}
{"pert_id":"BRD-M25555076","pert_iname":"BRD-M25555076","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZTIFAQWAFGFDSE","inchi_key":"ZTIFAQWAFGFDSE-UHFFFAOYSA-N","canonical_smiles":"CN1CC(=O)NC1=N.COc1cc2[nH]cc(CCN)c2cc1O","pubchem_cid":"73707564"}
{"pert_id":"BRD-M28563253","pert_iname":"BRD-M28563253","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ODFNINQRCUMTGK","inchi_key":"ODFNINQRCUMTGK-UHFFFAOYSA-P","canonical_smiles":"C[N+](C)(C)CCOc1ccc(CCN)cc1O.C[N+](C)(C)CCOc1cc(CCN)ccc1O","pubchem_cid":"73707571"}
{"pert_id":"BRD-M29370314","pert_iname":"BRD-M29370314","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CMUKOSUBFJRTEO","inchi_key":"CMUKOSUBFJRTEO-UHFFFAOYSA-N","canonical_smiles":"CN(C)CCOc1ccc(CCN)cc1O.CN(C)CCOc1cc(CCN)ccc1O","pubchem_cid":"73707568"}
{"pert_id":"BRD-M30251550","pert_iname":"penbutolol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ZRBGRNFQUZAVDD","inchi_key":"ZRBGRNFQUZAVDD-UHFFFAOYSA-N","canonical_smiles":"CC(C)(C)NCC(O)COc1ccccc1C2CCCC2.CC(C)(C)NCC(O)COc1ccccc1C2CCCC2","pubchem_cid":"73707345"}
{"pert_id":"BRD-M32778103","pert_iname":"BRD-M32778103","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UURQJTAZHVTRJQ","inchi_key":"UURQJTAZHVTRJQ-NVCLPCFHSA-N","canonical_smiles":"C\\C=C\\c1ccc2n(C[C@@H]3[C@@H](CO)[C@H](C(=O)N[C@H](C)c4ccccc4)N(C(=O)c4nccnc4)[C@H]23)c1=O.C\\C=C/c1ccc2n(C[C@@H]3[C@@H](CO)[C@H](C(=O)N[C@H](C)c4ccccc4)N(C(=O)c4nccnc4)[C@H]23)c1=O","pubchem_cid":"54660979"}
{"pert_id":"BRD-M34926192","pert_iname":"guanadrel","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"SPMDBEGOXXCYHV","inchi_key":"SPMDBEGOXXCYHV-UHFFFAOYSA-N","canonical_smiles":"NC(=N)NCC1COC2(CCCCC2)O1.NC(=N)NCC1COC2(CCCCC2)O1","pubchem_cid":"66931399"}
{"pert_id":"BRD-M35773784","pert_iname":"atropine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NBLUPZBTGKMBNV","inchi_key":"NBLUPZBTGKMBNV-BSNGCFTNSA-N","canonical_smiles":"CN1[C@@H]2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)c1ccccc1.CN1[C@@H]2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)c1ccccc1","pubchem_cid":"73707493"}
{"pert_id":"BRD-M37402942","pert_iname":"benzathine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UYGCTQCTPWXEJE","inchi_key":"UYGCTQCTPWXEJE-FUPQJAMPSA-N","canonical_smiles":"CC1(C)S[C@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(O)=O.CC1(C)S[C@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(O)=O","pubchem_cid":"73707453"}
{"pert_id":"BRD-M39942365","pert_iname":"xamoterol","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PQQZHQGUKPKDBU","inchi_key":"PQQZHQGUKPKDBU-UHFFFAOYSA-N","canonical_smiles":"OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2.OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2","pubchem_cid":"73707347"}
{"pert_id":"BRD-M40783228","pert_iname":"mesna","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"PYTISYCTLQTCTM","inchi_key":"ZNEWHQLOPFWXOF-UHFFFAOYSA-N","canonical_smiles":"OS(=O)(=O)CCS","pubchem_cid":"23662354","MOA":"Antioxidant"}
{"pert_id":"BRD-M41783010","pert_iname":"acamprosate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"NMFXTJQQOGRKAJ","inchi_key":"AFCGFAGUEYAMAO-UHFFFAOYSA-N","canonical_smiles":"CC(=O)NCCCS(O)(=O)=O","pubchem_cid":"73707392","MOA":"Glutamate receptor antagonist"}
{"pert_id":"BRD-M45580279","pert_iname":"mebhydrolin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"ITXNFTVFLSJYOO","inchi_key":"ITXNFTVFLSJYOO-UHFFFAOYSA-N","canonical_smiles":"CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4.CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4","pubchem_cid":"73707357"}
{"pert_id":"BRD-M47937986","pert_iname":"cefatrizine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"CKOIKOHDEYTLFR","inchi_key":"UOCJDOLVGGIYIQ-PBFPGSCMSA-N","canonical_smiles":"N[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSc3c[nH]nn3)=C(N2C1=O)C(O)=O)c1ccc(O)cc1","pubchem_cid":"6410757","MOA":"Bacterial cell wall synthesis inhibitor","chembl_id":"CHEMBL3115472","molregno":1618451,"PubChem_ID":"6410757","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"BRD-M53001068","pert_iname":"aminophylline","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NXSXRSNDUVSCRP","inchi_key":"NXSXRSNDUVSCRP-UHFFFAOYSA-N","canonical_smiles":"Cn1c(=O)n(C)c2nc[nH]c2c1=O.Cn1c(=O)n(C)c2nc[nH]c2c1=O","pubchem_cid":"18680317"}
{"pert_id":"BRD-M56587789","pert_iname":"ibutilide","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HECQGWSAKVGEID","inchi_key":"HECQGWSAKVGEID-UHFFFAOYSA-N","canonical_smiles":"CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1","pubchem_cid":"73707513"}
{"pert_id":"BRD-M59543297","pert_iname":"isometheptene","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"WSXKZIDINJKWPM","inchi_key":"WSXKZIDINJKWPM-UHFFFAOYSA-N","canonical_smiles":"CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.OC(C(O)C(O)C(=O)O)C(O)C(=O)O","pubchem_cid":"45105106"}
{"pert_id":"BRD-M61246020","pert_iname":"fenoprofen","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HBUGUKMTZDSVIK","inchi_key":"HBUGUKMTZDSVIK-UHFFFAOYSA-N","canonical_smiles":"CC(C(=O)O)c1cccc(Oc2ccccc2)c1.CC(C(=O)O)c1cccc(Oc2ccccc2)c1","pubchem_cid":"19905833"}
{"pert_id":"BRD-M64432851","pert_iname":"sunitinib","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"VMQIYQCRNNCDEP","inchi_key":"WINHZLLDWRZWRT-ATVHPVEESA-N","canonical_smiles":"CCN(CC)CCNC(=O)c1c(C)[nH]c(\\C=C2/C(=O)Nc3ccc(F)cc23)c1C","pubchem_cid":"73707432","MOA":"FLT3 inhibitor; KIT inhibitor; PDGFR receptor inhibitor; PLK inhibitor; RET tyrosine kinase inhibitor; VEGFR inhibitor"}
{"pert_id":"BRD-M68558198","pert_iname":"BRD-M68558198","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"HINKXEZWHNBZFE","inchi_key":"HINKXEZWHNBZFE-UHFFFAOYSA-N","canonical_smiles":"CN1CC(=O)NC1=N.NCCc1c[nH]c2cccc(O)c12","pubchem_cid":"73707592"}
{"pert_id":"BRD-M72442222","pert_iname":"vicriviroc","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"OJBZSTCFTLECHL","inchi_key":"CNPVJJQCETWNEU-CYFREDJKSA-N","canonical_smiles":"COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F","pubchem_cid":"73707391","MOA":"CC chemokine receptor antagonist"}
{"pert_id":"BRD-M72681210","pert_iname":"eserine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"UXEBRVJXMPMKIC","inchi_key":"UXEBRVJXMPMKIC-GUHRZNIVSA-N","canonical_smiles":"CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1","pubchem_cid":"73707354"}
{"pert_id":"BRD-M73371355","pert_iname":"apomorphine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"CFFNPVYFABROIZ","inchi_key":"CFFNPVYFABROIZ-CHNGVTQJSA-N","canonical_smiles":"CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31.CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31","pubchem_cid":"73707506"}
{"pert_id":"BRD-M74254599","pert_iname":"lithium-chloride","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"PZLXYMQOCNYUIO","inchi_key":"PZLXYMQOCNYUIO-UHFFFAOYSA-N","canonical_smiles":"[Li].Cl","pubchem_cid":"6610281"}
{"pert_id":"BRD-M86331534","pert_iname":"pyrvinium-pamoate","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"GMCGJQJVPCLFHX","inchi_key":"JSZNAPGSRFTCQR-UHFFFAOYSA-N","canonical_smiles":"CN(C)c1ccc2[n+](C)c(CCc3cc(C)n(c3C)-c3ccccc3)ccc2c1","pubchem_cid":"73707397","MOA":"AKT inhibitor"}
{"pert_id":"BRD-M90449146","pert_iname":"dinoprost","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"RLFNJGOHWGRCER","inchi_key":"RLFNJGOHWGRCER-NULUWHCBSA-N","canonical_smiles":"COC(N)(CO)CO.CCCCC[C@H](O)C=C[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(O)=O","pubchem_cid":"73707481"}
{"pert_id":"BRD-M91737268","pert_iname":"BRD-M91737268","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"DFRUTGRPXJKUIB","inchi_key":"DFRUTGRPXJKUIB-UHFFFAOYSA-N","canonical_smiles":"CN1CC(=O)NC1=N.COc1ccc2c(CCN)c[nH]c2c1","pubchem_cid":"73707578"}
{"pert_id":"BRD-M98379218","pert_iname":"methylatropine","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NEDVJZNVOSNSHF","inchi_key":"NEDVJZNVOSNSHF-MYLLRIMASA-N","canonical_smiles":"C[N+]1(C)C2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.[O-][N+](=O)[O-]","pubchem_cid":"51371412"}
{"pert_id":"BRD-M98649031","pert_iname":"dimenhydrinate","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"NFLLKCVHYJRNRH","inchi_key":"NFLLKCVHYJRNRH-UHFFFAOYSA-N","canonical_smiles":"Cn1c2nc(Cl)[nH]c2c(=O)n(C)c1=O.CN(C)CCOC(c1ccccc1)c1ccccc1","pubchem_cid":"10660","chembl_id":"CHEMBL1200406","molregno":674357,"PubChem_ID":"10660","DrugBank_ID":"DB00985","pref_name":"DIMENHYDRINATE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":1972,"oral":1,"parenteral":1,"topical":0,"natural_product":1,"inorganic_flag":0,"availability_type":1,"indication_class":"Anti-Emetic","withdrawn_flag":0,"mechanism_of_action":"Histamine H1 receptor antagonist","action_type":"ANTAGONIST","direct_interaction":1,"molecular_mechanism":1,"disease_efficacy":1}
{"pert_id":"BRD-U06594984","pert_iname":"BL-074","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-U08759356","pert_iname":"EI-346-erlotinib-analog","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"restricted","inchi_key":"restricted","canonical_smiles":"restricted","pubchem_cid":"NotFound","MOA":"EGFR inhibitor"}
{"pert_id":"BRD-U19872303","pert_iname":"spiramycin","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"5289394","chembl_id":"CHEMBL453514","molregno":497011,"PubChem_ID":"5289394","pref_name":"SPIRAMYCIN","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1962,"availability_type":-1,"usan_stem":"-mycin","usan_stem_definition":"antibiotics (Streptomyces strains)","withdrawn_flag":0}
{"pert_id":"BRD-U32049204","pert_iname":"BRD-U32049204","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-U37487928","pert_iname":"GGTI-2133","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"16078972"}
{"pert_id":"BRD-U47371202","pert_iname":"YL-58","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-U63562434","pert_iname":"LBH-589","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"6918837","chembl_id":"CHEMBL483254","molregno":499179,"PubChem_ID":"6918837","DrugBank_ID":"DB06603","pref_name":"PANOBINOSTAT","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2015,"oral":1,"parenteral":0,"topical":0,"natural_product":0,"inorganic_flag":0,"usan_year":2011,"availability_type":1,"usan_stem":"-stat","usan_stem_definition":"enzyme inhibitors: inhibitors of histone deacetylase","withdrawn_flag":0}
{"pert_id":"BRD-U65466710","pert_iname":"BRD-U65466710","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-U71399930","pert_iname":"BRD-U71399930","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-U77632492","pert_iname":"KU-C104220","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-U86222656","pert_iname":"BRD-U86222656","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-U88861852","pert_iname":"YL-57","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-U88878891","pert_iname":"BRD-U88878891","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"BRD-U94846492","pert_iname":"quinine","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"LOUPRKONTZGTKE","inchi_key":"LOUPRKONTZGTKE-AFHBHXEDSA-N","canonical_smiles":"COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1","pubchem_cid":"3034034","MOA":"Hemozoin biocrystallization inhibitor","chembl_id":"CHEMBL170","molregno":255947,"PubChem_ID":"3034034","DrugBank_ID":"DB00468","pref_name":"QUININE","max_phase":4,"therapeutic_flag":1,"molecule_type":"Small molecule","first_approval":2005,"oral":1,"parenteral":0,"topical":0,"natural_product":1,"inorganic_flag":0,"usan_year":1980,"availability_type":1,"usan_stem":"sal-","usan_stem_definition":"anti-inflammatory agents (salicylic acid derivatives)","indication_class":"Antimalarial,Deterrent (smoking)","withdrawn_flag":0}
{"pert_id":"BRD-U97083655","pert_iname":"teicoplanin","pert_type":"trt_cp","is_touchstone":1,"inchi_key_prefix":"restricted","inchi_key":"restricted","canonical_smiles":"restricted","pubchem_cid":"133065662","MOA":"Bacterial cell wall synthesis inhibitor"}
{"pert_id":"BRD2492+BRD3308","pert_iname":"HDACi1,2+3_mix","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"CMAP-AZD-1152HQPA","pert_iname":"AZD-1152HQPA","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"16007391","chembl_id":"CHEMBL215152","molregno":363083,"PubChem_ID":"16007391","pref_name":"AZD-1152-HQPA","max_phase":0,"therapeutic_flag":0,"molecule_type":"Small molecule","oral":0,"parenteral":0,"topical":0,"natural_product":-1,"inorganic_flag":-1,"availability_type":-1,"withdrawn_flag":0}
{"pert_id":"CMAP-CRCGN-CB7950998","pert_iname":"CB7950998","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"CMAP-CRCGN-CB7992112","pert_iname":"CB7992112","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"CMAP-CRCGN-CB7993113","pert_iname":"CB7993113","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"CMAP-ERGKD328","pert_iname":"assinex_D328","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"CMAP-PRISM-1B-NR","pert_iname":"1B-NR","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"CMAP-PRISM-1B-PARENT","pert_iname":"1B-parent","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"NotFound"}
{"pert_id":"CMAP-PRISM-TP7","pert_iname":"TP7","pert_type":"trt_cp","is_touchstone":0,"inchi_key_prefix":"-666","inchi_key":"-666","canonical_smiles":"-666","pubchem_cid":"5462265"}