Drug Information

Drug General Information
Drug ID
DX6QDS
Drug Name
4-[2-(6-{[Bis-(4-methoxy-phenyl)-methyl]-carbamoyl}-benzofuran-2-yl)-phenoxy]-butyric acid
Synonyms
CHEMBL155094
Indication Discovery agent Investigative [1587926]
Formula
C34H31NO7
Canonical SMILES
COc1ccc(cc1)C(NC(=O)c2ccc3cc(oc3c2)c4ccccc4OCCCC(=O)O)c5ccc(OC)cc5
InChI
InChI=1S/C34H31NO7/c1-39-26-15-11-22(12-16-26)33(23-13-17-27(40-2)18-14-23)35-34(38)25-10-9-24-20-31(42-30(24)21-25)28-6-3-4-7-29(28)41-19-5-8-32(36)37/h3-4,6-7,9-18,20-21,33H,5,8,19H2,1-2H3,(H,35,38)(H,36,37)
InChIKey
YWWSOZJTTVIDTJ-UHFFFAOYSA-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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