Drug General Information
Drug ID
DX8GUF
Drug Name
(1S,3aS,3bS,9aR,9bS,11aS)-5-cyano-N,N-diethyl-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
CHEMBL2282667
Indication Discovery agent Investigative [1587926]
Formula
C24H35N3O2
Canonical SMILES
CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN(C#N)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C24H35N3O2/c1-5-26(6-2)22(29)20-8-7-18-17-14-27(15-25)21-13-16(28)9-11-24(21,4)19(17)10-12-23(18,20)3/h13,17-20H,5-12,14H2,1-4H3/t17-,18-,19-,20+,23-,24+/m0/s1
InChIKey
XAHZNXCLIADPOW-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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