Drug Information

Drug General Information
Drug ID
D0UI8Q
Former ID
DNC004484
Drug Name
5-Bromo-8-imidazol-1-ylmethyl-chromen-4-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535139]
Formula
C13H9BrN2O2
Canonical SMILES
C1=CC(=C2C(=O)C=COC2=C1CN3C=CN=C3)Br
InChI
1S/C13H9BrN2O2/c14-10-2-1-9(7-16-5-4-15-8-16)13-12(10)11(17)3-6-18-13/h1-6,8H,7H2
InChIKey
QYFIAVSWVXIKAW-UHFFFAOYSA-N
PubChem Compound ID
10566470
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [535139]
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 535139A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 2001 Mar 1;44(5):672-80.
Ref 535139A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 2001 Mar 1;44(5):672-80.

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