Drug General Information
Drug ID
DX0L5C
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 [1-(4-tert-butyl-phenyl)-cyclohexyl]-amide
Synonyms
CHEMBL88032
Indication Discovery agent Investigative [1587926]
Formula
C35H50N2O2
Canonical SMILES
CC(C)(C)c1ccc(cc1)C2(CCCCC2)NC(=O)[C@H]3CCC4C5CNC6=CC(=O)CC[C@]6(C)C5CC[C@]34C
InChI
InChI=1S/C35H50N2O2/c1-32(2,3)23-9-11-24(12-10-23)35(17-7-6-8-18-35)37-31(39)29-14-13-27-26-22-36-30-21-25(38)15-19-34(30,5)28(26)16-20-33(27,29)4/h9-12,21,26-29,36H,6-8,13-20,22H2,1-5H3,(H,37,39)/t26?,27?,28?,29-,33+,34-/m1/s1
InChIKey
ZDUXGHLKBYRGNA-FDCCBWRUSA-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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