Drug Information

Drug General Information
Drug ID
D0DJ3R
Former ID
DNC004495
Drug Name
7-((1H-imidazol-1-yl)methyl)-4H-chromen-4-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529860]
Formula
C13H10N2O2
Canonical SMILES
C1=CC2=C(C=C1CN3C=CN=C3)OC=CC2=O
InChI
1S/C13H10N2O2/c16-12-3-6-17-13-7-10(1-2-11(12)13)8-15-5-4-14-9-15/h1-7,9H,8H2
InChIKey
KLOFOSXNENLIKT-UHFFFAOYSA-N
PubChem Compound ID
10585323
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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