Drug Information

Drug General Information
Drug ID
D07BQG
Former ID
DNC006093
Drug Name
{4-[4-(4-bromophenoxy)benzoyl]phenyl}acetic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527979]
Structure
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2D MOL

3D MOL
Formula
C21H15BrO4
Canonical SMILES
C1=CC(=CC=C1CC(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br
InChI
1S/C21H15BrO4/c22-17-7-11-19(12-8-17)26-18-9-5-16(6-10-18)21(25)15-3-1-14(2-4-15)13-20(23)24/h1-12H,13H2,(H,23,24)
InChIKey
XVHMPUZJYISELN-UHFFFAOYSA-N
PubChem Compound ID
11495248
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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