Drug Information

Drug General Information
Drug ID
DXB5WT
Drug Name
(1S,3aS,3bS,9aR,9bS,11aS)-N,N,5-triethyl-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-carboxamide
Synonyms
CHEMBL2282665
Indication Discovery agent Investigative [1587926]
Formula
C25H40N2O2
Canonical SMILES
CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN(CC)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C25H40N2O2/c1-6-26(7-2)23(29)21-10-9-19-18-16-27(8-3)22-15-17(28)11-13-25(22,5)20(18)12-14-24(19,21)4/h15,18-21H,6-14,16H2,1-5H3/t18-,19-,20-,21+,24-,25+/m0/s1
InChIKey
CKIDATLRUHCUAK-HQKDKDJQSA-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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