Drug Information

Drug General Information
Drug ID
DXGP4X
Drug Name
((1S,9aR,11aS)-1-Diethylcarbamoyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,7,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-5-yl)-acetic acid
Synonyms
CHEMBL311783
Indication Discovery agent Investigative [1587926]
Formula
C25H38N2O4
Canonical SMILES
CCN(CC)C(=O)[C@H]1CCC2C3CN(CC(=O)O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
InChI
InChI=1S/C25H38N2O4/c1-5-26(6-2)23(31)20-8-7-18-17-14-27(15-22(29)30)21-13-16(28)9-11-25(21,4)19(17)10-12-24(18,20)3/h13,17-20H,5-12,14-15H2,1-4H3,(H,29,30)/t17?,18?,19?,20-,24+,25-/m1/s1
InChIKey
KEDFPNVIMRWWGW-YMYWZCFKSA-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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