Drug Information

Drug General Information
Drug ID
DXD2SB
Drug Name
4-Cyano-17-diisopropylcarbamoyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms
CHEMBL1628002
Indication Discovery agent Investigative [1587926]
Formula
C27H36N2O3
Canonical SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4c(ccc(C(=O)O)c4C#N)[C@H]3CC[C@]12C
InChI
InChI=1S/C27H36N2O3/c1-15(2)29(16(3)4)25(30)24-11-10-23-20-8-6-18-17(19(20)12-13-27(23,24)5)7-9-21(26(31)32)22(18)14-28/h7,9,15-16,19-20,23-24H,6,8,10-13H2,1-5H3,(H,31,32)/t19-,20-,23+,24-,27+/m1/s1
InChIKey
RDMOHBOLNXOXOL-FEBXYHBTSA-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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.