Drug Information

Drug General Information
Drug ID
D07TUX
Former ID
DNC007306
Drug Name
7-(2-(1H-imidazol-1-yl)ethoxy)-2H-chromen-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527353]
Formula
C14H12N2O3
Canonical SMILES
C1=CC(=CC2=C1C=CC(=O)O2)OCCN3C=CN=C3
InChI
1S/C14H12N2O3/c17-14-4-2-11-1-3-12(9-13(11)19-14)18-8-7-16-6-5-15-10-16/h1-6,9-10H,7-8H2
InChIKey
JUOCDQIZOPYANC-UHFFFAOYSA-N
PubChem Compound ID
11230598
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [527353]
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 527353J Med Chem. 2004 Dec 30;47(27):6792-803.Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors.
Ref 527353J Med Chem. 2004 Dec 30;47(27):6792-803.Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors.