Drug Information

Drug General Information
Drug ID
D0W6HB
Former ID
DNC006088
Drug Name
4-(4-phenoxybenzoyl)benzoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527979]
Structure
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2D MOL

3D MOL
Formula
C20H14O4
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)O
InChI
1S/C20H14O4/c21-19(14-6-8-16(9-7-14)20(22)23)15-10-12-18(13-11-15)24-17-4-2-1-3-5-17/h1-13H,(H,22,23)
InChIKey
SQQFOBWKPOREAO-UHFFFAOYSA-N
PubChem Compound ID
10087225
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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