Drug Information

Drug General Information
Drug ID
DX0FJK
Drug Name
(1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid (2-tert-butyl-6-trifluoromethyl-phenyl)-amide
Synonyms
CHEMBL421735
Indication Discovery agent Investigative [1587926]
Formula
C31H41F3N2O2
Canonical SMILES
CC1=C2NCC3C4CC[C@H](C(=O)Nc5c(cccc5C(F)(F)F)C(C)(C)C)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
InChI
InChI=1S/C31H41F3N2O2/c1-17-24(37)13-15-30(6)20-12-14-29(5)19(18(20)16-35-26(17)30)10-11-23(29)27(38)36-25-21(28(2,3)4)8-7-9-22(25)31(32,33)34/h7-9,18-20,23,35H,10-16H2,1-6H3,(H,36,38)/t18?,19?,20?,23-,29+,30-/m1/s1
InChIKey
ZRKMLXOVZYKUKU-GGBBMWFCSA-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.