Drug Information

Drug General Information
Drug ID
D0S0EP
Former ID
DNC013090
Drug Name
1-(4-nitrobenzyl)-1H-imidazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528225]
Formula
C10H9N3O2
Canonical SMILES
C1=CC(=CC=C1CN2C=CN=C2)[N+](=O)[O-]
InChI
1S/C10H9N3O2/c14-13(15)10-3-1-9(2-4-10)7-12-6-5-11-8-12/h1-6,8H,7H2
InChIKey
FLYGQJXMRPZYHQ-UHFFFAOYSA-N
PubChem Compound ID
585819
Target and Pathway
Target(s) 17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [528225]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
Prolactin signaling pathway
PathWhiz Pathway Androgen and Estrogen Metabolism
Steroidogenesis
Reactome Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Steroid Biosynthesis
Oxidation by Cytochrome P450
Metabolism of steroid hormones and vitamin D
Glucocorticoid & Mineralcorticoid Metabolism
Prostate Cancer
Phase 1 - Functionalization of compounds
References
Ref 528225Bioorg Med Chem Lett. 2006 Aug 1;16(15):4011-5. Epub 2006 Jun 5.Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)).
Ref 528225Bioorg Med Chem Lett. 2006 Aug 1;16(15):4011-5. Epub 2006 Jun 5.Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)).

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