Drug General Information
Drug ID
DXV5BF
Drug Name
(1S,9aR,11aS)-6-Chloro-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 (2,5-bis-trifluoromethyl-phenyl)-amide
Synonyms
CHEMBL282037
Indication Discovery agent Investigative [1587926]
Formula
C27H29ClF6N2O2
Canonical SMILES
C[C@]12CCC3C(CNC4=C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc5cc(ccc5C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C27H29ClF6N2O2/c1-24-9-7-16-14(12-35-22-21(28)20(37)8-10-25(16,22)2)15(24)5-6-18(24)23(38)36-19-11-13(26(29,30)31)3-4-17(19)27(32,33)34/h3-4,11,14-16,18,35H,5-10,12H2,1-2H3,(H,36,38)/t14?,15?,16?,18-,24+,25-/m1/s1
InChIKey
WBCLDSQCYODIIE-FYXKBQMPSA-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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