Drug Information

Drug General Information
Drug ID
D0CR6B
Former ID
DNC006730
Drug Name
4'-cyano-3-(imidazolylmethyl)flavone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528327]
Formula
C20H13N3O2
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C#N)CN4C=CN=C4
InChI
1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)20-17(12-23-10-9-22-13-23)19(24)16-3-1-2-4-18(16)25-20/h1-10,13H,12H2
InChIKey
IOBDYJIIOAQKGQ-UHFFFAOYSA-N
PubChem Compound ID
11847319
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.