Drug Information

Drug General Information
Drug ID
DXY1IU
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 (2-amino-phenyl)-amide
Synonyms
CHEMBL108612
Indication Discovery agent Investigative [1587926]
Formula
C25H33N3O2
Canonical SMILES
C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc5ccccc5N
InChI
InChI=1S/C25H33N3O2/c1-24-13-11-17-15(7-10-21-25(17,2)14-12-22(29)28-21)16(24)8-9-18(24)23(30)27-20-6-4-3-5-19(20)26/h3-6,12,14-18,21H,7-11,13,26H2,1-2H3,(H,27,30)(H,28,29)/t15?,16?,17?,18?,21?,24-,25+/m0/s1
InChIKey
BCKQSIZBCMVWRU-JAKPRZHHSA-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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