Drug Information

Drug General Information
Drug ID
DX2OXR
Drug Name
(4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid biphenyl-3-ylamide
Synonyms
CHEMBL322749
Indication Discovery agent Investigative [1587926]
Formula
C31H36N2O2
Canonical SMILES
C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc5cccc(c5)c6ccccc6
InChI
InChI=1S/C31H36N2O2/c1-30-17-15-25-23(11-14-27-31(25,2)18-16-28(34)33-27)24(30)12-13-26(30)29(35)32-22-10-6-9-21(19-22)20-7-4-3-5-8-20/h3-10,16,18-19,23-27H,11-15,17H2,1-2H3,(H,32,35)(H,33,34)/t23?,24?,25?,26?,27?,30-,31+/m0/s1
InChIKey
FJMGVKBLNYZNRC-KXBKPWSGSA-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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