Drug Information

Drug General Information
Drug ID
DX7POV
Drug Name
(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-1-(piperidine-1-carbonyl)-3,3a,3b,4,5,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridin-7(2H)-one
Synonyms
CHEMBL2282642
Indication Discovery agent Investigative [1587926]
Formula
C24H36N2O2
Canonical SMILES
C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)N5CCCCC5
InChI
InChI=1S/C24H36N2O2/c1-23-11-9-19-17(15-25-21-14-16(27)8-10-24(19,21)2)18(23)6-7-20(23)22(28)26-12-4-3-5-13-26/h14,17-20,25H,3-13,15H2,1-2H3/t17-,18-,19-,20+,23-,24+/m0/s1
InChIKey
BYQVVFSIVTYXEA-VPOPLMJOSA-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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