Drug Information

Drug General Information
Drug ID
D05JGX
Former ID
DNC006086
Drug Name
4-[4-(benzylamino)benzoyl]benzoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527979]
Structure
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2D MOL

3D MOL
Formula
C21H17NO3
Canonical SMILES
C1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)O
InChI
1S/C21H17NO3/c23-20(16-6-8-18(9-7-16)21(24)25)17-10-12-19(13-11-17)22-14-15-4-2-1-3-5-15/h1-13,22H,14H2,(H,24,25)
InChIKey
HTOJJEGICHZIJA-UHFFFAOYSA-N
PubChem Compound ID
11602388
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.

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