Drug General Information
Drug ID
DXBO4L
Drug Name
(1S,3aS,3bS,9aR,9bS,11aS)-N-(4'-tert-butyl-4-(trifluoromethyl)biphenyl-2-yl)-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-carboxamide
Synonyms
CHEMBL2282764
Indication Discovery agent Investigative [1587926]
Formula
C36H43F3N2O2
Canonical SMILES
CC(C)(C)c1ccc(cc1)c2ccc(cc2NC(=O)[C@H]3CC[C@H]4[C@@H]5CNC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)C(F)(F)F
InChI
InChI=1S/C36H43F3N2O2/c1-33(2,3)22-8-6-21(7-9-22)25-11-10-23(36(37,38)39)18-30(25)41-32(43)29-13-12-27-26-20-40-31-19-24(42)14-16-35(31,5)28(26)15-17-34(27,29)4/h6-11,18-19,26-29,40H,12-17,20H2,1-5H3,(H,41,43)/t26-,27-,28-,29+,34-,35+/m0/s1
InChIKey
SAJDFWWOBZTXQE-PUOVGHIGSA-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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