Drug Information

Drug General Information
Drug ID
DX1XSJ
Drug Name
(1S,9aR,11aS)-6-Bromo-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 adamantan-1-ylamide
Synonyms
CHEMBL305855
Indication Discovery agent Investigative [1587926]
Formula
C29H41BrN2O2
Canonical SMILES
C[C@]12CCC3C(CNC4=C(Br)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC56CC7CC(CC(C7)C5)C6
InChI
InChI=1S/C29H41BrN2O2/c1-27-7-5-21-19(15-31-25-24(30)23(33)6-8-28(21,25)2)20(27)3-4-22(27)26(34)32-29-12-16-9-17(13-29)11-18(10-16)14-29/h16-22,31H,3-15H2,1-2H3,(H,32,34)/t16?,17?,18?,19?,20?,21?,22-,27+,28-,29?/m1/s1
InChIKey
IIXOYJWSDYPJCP-XKVQQJPUSA-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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