Drug General Information
Drug ID
DXN06M
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)-cycloheptyl]-amide
Synonyms
CHEMBL88485
Indication Discovery agent Investigative [1587926]
Formula
C36H52N2O2
Canonical SMILES
CC(C)(C)c1ccc(cc1)C2(CCCCCC2)NC(=O)[C@H]3CCC4C5CNC6=CC(=O)CC[C@]6(C)C5CC[C@]34C
InChI
InChI=1S/C36H52N2O2/c1-33(2,3)24-10-12-25(13-11-24)36(18-8-6-7-9-19-36)38-32(40)30-15-14-28-27-23-37-31-22-26(39)16-20-35(31,5)29(27)17-21-34(28,30)4/h10-13,22,27-30,37H,6-9,14-21,23H2,1-5H3,(H,38,40)/t27?,28?,29?,30-,34+,35-/m1/s1
InChIKey
CBUXLBQVPVOWAL-PGXHHHFUSA-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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