Drug Information

Drug General Information
Drug ID
D0M0FE
Former ID
DNC010801
Drug Name
N-[2-(4'-Nitrophenyl)ethyl]-imidazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530867]
Formula
C11H11N3O2
Canonical SMILES
C1=CC(=CC=C1CCN2C=CN=C2)[N+](=O)[O-]
InChI
1S/C11H11N3O2/c15-14(16)11-3-1-10(2-4-11)5-7-13-8-6-12-9-13/h1-4,6,8-9H,5,7H2
InChIKey
HCPMKJOVCNZGSD-UHFFFAOYSA-N
PubChem Compound ID
3317166
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [530867]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
References
Ref 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).
Ref 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).

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