Drug Information

Drug General Information
Drug ID
D0M5EW
Former ID
DNC007302
Drug Name
4-((1H-imidazol-1-yl)methyl)-2H-chromen-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Formula
C13H10N2O2
Canonical SMILES
C1=CC=C2C(=C1)C(=CC(=O)O2)CN3C=CN=C3
InChI
1S/C13H10N2O2/c16-13-7-10(8-15-6-5-14-9-15)11-3-1-2-4-12(11)17-13/h1-7,9H,8H2
InChIKey
SOWQJCOJWDYZNR-UHFFFAOYSA-N
PubChem Compound ID
11276192
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [529860]
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 529860J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.
Ref 529860J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.

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