Drug General Information
Drug ID
DXU6TR
Drug Name
4-(3-{4-[(R)-1-(4-Isobutyl-phenyl)-ethoxy]-benzoyl}-indol-1-yl)-butyric acid
Synonyms
CHEMBL280954
Indication Discovery agent Investigative [1587926]
Formula
C31H33NO4
Canonical SMILES
CC(C)Cc1ccc(cc1)[C@@H](C)Oc2ccc(cc2)C(=O)c3cn(CCCC(=O)O)c4ccccc34
InChI
InChI=1S/C31H33NO4/c1-21(2)19-23-10-12-24(13-11-23)22(3)36-26-16-14-25(15-17-26)31(35)28-20-32(18-6-9-30(33)34)29-8-5-4-7-27(28)29/h4-5,7-8,10-17,20-22H,6,9,18-19H2,1-3H3,(H,33,34)/t22-/m1/s1
InChIKey
SMSOYFGWXDACGL-JOCHJYFZSA-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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