Drug General Information
Drug ID
DX7PYW
Drug Name
CHEMBL1201841
Synonyms
(7aS,8S,10aR)-7a-Methyl-2-oxo-2,3,4,6,7,7a,8,9,10,10a,11,12-dodecahydro-indeno[4,5-c]quinolizine-8-carboxylic acid tert-butylamide; compound with (7aS,8S,10aS)-7a-methyl-2-oxo-2,3,4,7,7a,8,9,10,10a,10b,11,12-dodecahydro-indeno[4,5-c]quinolizine-8-carboxylic acid tert-butylamide
Indication Discovery agent Investigative [1587926]
Formula
C44H64N4O4
Canonical SMILES
CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C.CC(C)(C)NC(=O)[C@H]5CC[C@H]6C7=C(CC[C@]56C)N8CCC(=O)C=C8CC7
InChI
InChI=1S/2C22H32N2O2/c2*1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h13,17-18H,5-12H2,1-4H3,(H,23,26);9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t17-,18+,22-;16?,17-,18+,22-/m00/s1
InChIKey
WKDPWJCYKLSYEJ-KAKSCKKLSA-N
Target and Pathway
Target(s) 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Target Info [1587926]
3-oxo-5-alpha-steroid 4-dehydrogenase 2 Target Info [1587926]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Allopregnanolone biosynthesis
Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesishsa00140:Steroid hormone biosynthesis
Prostate cancer
NetPath Pathway IL2 Signaling Pathway
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Androgen biosynthesisR-HSA-193048:Androgen biosynthesis
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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