Drug Information

Drug General Information
Drug ID
DX5IRD
Drug Name
(1S,3aS,3bS,7aR,8aS,8bS,8cS,10aS)-N,N-diethyl-5,8b,10a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,7,7a,8,8a,8b,8c,9,10,10a-hexadecahydrocyclopenta[i]cyclopropa[a]phenanthridine-1-carboxamide
Synonyms
CHEMBL2282661
Indication Discovery agent Investigative [1587926]
Formula
C25H38N2O2
Canonical SMILES
CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN(C)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C25H38N2O2/c1-6-27(7-2)23(29)19-9-8-17-16-14-26(5)22-13-21(28)15-12-20(15)25(22,4)18(16)10-11-24(17,19)3/h13,15-20H,6-12,14H2,1-5H3/t15-,16+,17+,18+,19-,20+,24+,25+/m1/s1
InChIKey
KQVMMYGAEIWJBI-IZCNVRFDSA-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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