Drug Information

Drug General Information
Drug ID
D04AED
Former ID
DNC006084
Drug Name
4-[4-(benzhydryloxy)benzoyl]benzoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527979]
Structure
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2D MOL

3D MOL
Formula
C27H20O4
Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)C4=CC=C(C<br />=C4)C(=O)O
InChI
1S/C27H20O4/c28-25(19-11-13-23(14-12-19)27(29)30)20-15-17-24(18-16-20)31-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,26H,(H,29,30)
InChIKey
RSHGTUVDNJDFHP-UHFFFAOYSA-N
PubChem Compound ID
11509747
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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