Drug General Information
Drug ID
DXW4FK
Drug Name
(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid (4-tert-butyl-4'-chloro-biphenyl-3-yl)-amide
Synonyms
CHEMBL328670
Indication Discovery agent Investigative [1587926]
Formula
C35H43ClN2O2
Canonical SMILES
CC(C)(C)c1ccc(cc1NC(=O)[C@H]2CCC3C4CNC5=CC(=O)CC[C@]5(C)C4CC[C@]23C)c6ccc(Cl)cc6
InChI
InChI=1S/C35H43ClN2O2/c1-33(2,3)28-11-8-22(21-6-9-23(36)10-7-21)18-30(28)38-32(40)29-13-12-26-25-20-37-31-19-24(39)14-16-35(31,5)27(25)15-17-34(26,29)4/h6-11,18-19,25-27,29,37H,12-17,20H2,1-5H3,(H,38,40)/t25?,26?,27?,29-,34+,35-/m1/s1
InChIKey
DJRXLRCSNPWILL-PAMNWJKDSA-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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