Drug Information

Drug General Information
Drug ID
D0Z6BT
Former ID
DNC006085
Drug Name
4-[3-(benzyloxy)benzoyl]benzoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527979]
Formula
C21H16O4
Canonical SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)C(=O)O
InChI
1S/C21H16O4/c22-20(16-9-11-17(12-10-16)21(23)24)18-7-4-8-19(13-18)25-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,24)
InChIKey
UBSDFPUNDIGYKJ-UHFFFAOYSA-N
PubChem Compound ID
11702714
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.