Drug Information

Drug General Information
Drug ID
D06WPP
Former ID
DNC006735
Drug Name
4'-bromo-3-(imidazolylmethyl)-7-methoxyflavone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528327]
Formula
C20H15BrN2O3
Canonical SMILES
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Br)CN4C=CN=C4
InChI
1S/C20H15BrN2O3/c1-25-15-6-7-16-18(10-15)26-20(13-2-4-14(21)5-3-13)17(19(16)24)11-23-9-8-22-12-23/h2-10,12H,11H2,1H3
InChIKey
DWMSDWDWUCFTQZ-UHFFFAOYSA-N
PubChem Compound ID
11847170
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [528327]
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 528327J Med Chem. 2006 Jul 27;49(15):4777-80.Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme.
Ref 528327J Med Chem. 2006 Jul 27;49(15):4777-80.Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme.