Drug Information

Drug General Information
Drug ID
D09ZHX
Former ID
DNC006731
Drug Name
4'-bromo-3-(imidazolylmethyl)flavone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528327]
Structure
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2D MOL

3D MOL
Formula
C19H13BrN2O2
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Br)CN4C=CN=C4
InChI
1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)19-16(11-22-10-9-21-12-22)18(23)15-3-1-2-4-17(15)24-19/h1-10,12H,11H2
InChIKey
VPZRWXUJDQPWSY-UHFFFAOYSA-N
PubChem Compound ID
11847318
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.

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