Drug Information

Drug General Information
Drug ID
D00PXF
Former ID
DNC010516
Drug Name
1-(4-Cyanobenzyl)-5-(3-fluorophenyl)-1H-imidazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530679]
Structure
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2D MOL

3D MOL
Formula
C17H12FN3
Canonical SMILES
C1=CC(=CC(=C1)F)C2=CN=CN2CC3=CC=C(C=C3)C#N
InChI
1S/C17H12FN3/c18-16-3-1-2-15(8-16)17-10-20-12-21(17)11-14-6-4-13(9-19)5-7-14/h1-8,10,12H,11H2
InChIKey
XBUPVQPMTRYFDV-UHFFFAOYSA-N
PubChem Compound ID
44206698
Target and Pathway
Target(s) Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [530679]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
PathWhiz Pathway Steroidogenesis
Reactome Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Corticotropin-releasing hormone
References
Ref 530679J Med Chem. 2010 Feb 25;53(4):1712-25.Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2).
Ref 530679J Med Chem. 2010 Feb 25;53(4):1712-25.Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2).

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