Drug Information

Drug General Information
Drug ID
D01AUS
Former ID
DNC006083
Drug Name
4-[4-benzyloxy)benzoyl]benzoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527979]
Structure
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2D MOL

3D MOL
Formula
C21H16O4
Canonical SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)O
InChI
1S/C21H16O4/c22-20(16-6-8-18(9-7-16)21(23)24)17-10-12-19(13-11-17)25-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,23,24)
InChIKey
ZSVDQQIAIVOVRI-UHFFFAOYSA-N
PubChem Compound ID
11616925
Target and Pathway
Target(s) 3-oxo-5-alpha-steroid 4-dehydrogenase 2 Target Info Inhibitor [527979]
3-oxo-5-alpha-steroid 4-dehydrogenase 1 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 biosynthesis
Prostate cancerhsa00140:Steroid hormone biosynthesis
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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