Drug Information

Drug General Information
Drug ID
DXF4TN
Drug Name
(1S,9aR,11aS)-1-(2-Cyclohexyl-acetyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one
Synonyms
CHEMBL430617
Indication Discovery agent Investigative [1587926]
Formula
C26H39NO2
Canonical SMILES
C[C@]12CCC3C(CNC4=CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)CC5CCCCC5
InChI
InChI=1S/C26H39NO2/c1-25-13-11-21-19(16-27-24-15-18(28)10-12-26(21,24)2)20(25)8-9-22(25)23(29)14-17-6-4-3-5-7-17/h15,17,19-22,27H,3-14,16H2,1-2H3/t19?,20?,21?,22-,25+,26-/m1/s1
InChIKey
QLJSQRVXMOGBQC-AIUGTSNISA-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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