Drug Information

Drug General Information
Drug ID
D05XPT
Former ID
DNC006082
Drug Name
(3-methyl-4-(4-phenoxybenzoyl)phenyl)acetic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527979]
Structure
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2D MOL

3D MOL
Formula
C22H18O4
Canonical SMILES
CC1=C(C=CC(=C1)CC(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
1S/C22H18O4/c1-15-13-16(14-21(23)24)7-12-20(15)22(25)17-8-10-19(11-9-17)26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,23,24)
InChIKey
XPAYPQXQKZWIEL-UHFFFAOYSA-N
PubChem Compound ID
11717189
Target and Pathway
Target(s) 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Target Info Inhibitor [527979]
3-oxo-5-alpha-steroid 4-dehydrogenase 2 Target Info Inhibitor [527979]
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 527979J Med Chem. 2006 Jan 26;49(2):748-59.Novel 5alpha-reductase inhibitors: synthesis, structure-activity studies, and pharmacokinetic profile of phenoxybenzoylphenyl acetic acids.
Ref 527979J Med Chem. 2006 Jan 26;49(2):748-59.Novel 5alpha-reductase inhibitors: synthesis, structure-activity studies, and pharmacokinetic profile of phenoxybenzoylphenyl acetic acids.

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