Drug Information

Drug General Information
Drug ID
D04LXR
Former ID
DNC006090
Drug Name
3-[4-(4-phenoxybenzoyl)phenyl]propanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527979]
Structure
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2D MOL

3D MOL
Formula
C22H18O4
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)CCC(=O)O
InChI
1S/C22H18O4/c23-21(24)15-8-16-6-9-17(10-7-16)22(25)18-11-13-20(14-12-18)26-19-4-2-1-3-5-19/h1-7,9-14H,8,15H2,(H,23,24)
InChIKey
FYPQECPTVJQSOG-UHFFFAOYSA-N
PubChem Compound ID
11515759
Target and Pathway
Target(s) 3-oxo-5-alpha-steroid 4-dehydrogenase 2 Target Info Inhibitor [527979]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Allopregnanolone biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Prostate cancer
Reactome 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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