Drug Information

Drug General Information
Drug ID
DX4FDJ
Drug Name
4-Bromo-17-diisopropylcarbamoyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms
CHEMBL1627706
Indication Discovery agent Investigative [1587926]
Formula
C26H36BrNO3
Canonical SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4c(Br)c(ccc4[C@H]3CC[C@]12C)C(=O)O
InChI
InChI=1S/C26H36BrNO3/c1-14(2)28(15(3)4)24(29)22-11-10-21-18-7-8-19-16(17(18)12-13-26(21,22)5)6-9-20(23(19)27)25(30)31/h6,9,14-15,17-18,21-22H,7-8,10-13H2,1-5H3,(H,30,31)/t17-,18-,21+,22-,26+/m1/s1
InChIKey
SBYQMKKTMQCJKU-SGNNQLCQSA-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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