Drug Information

Drug General Information
Drug ID
D05PXK
Former ID
DNC006734
Drug Name
4'-cyano-3-(imidazolylmethyl)-7-methoxyflavone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528327]
Formula
C21H15N3O3
Canonical SMILES
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C#N)CN4C=CN=C<br />4
InChI
1S/C21H15N3O3/c1-26-16-6-7-17-19(10-16)27-21(15-4-2-14(11-22)3-5-15)18(20(17)25)12-24-9-8-23-13-24/h2-10,13H,12H2,1H3
InChIKey
MFAAEVRNWGIQOT-UHFFFAOYSA-N
PubChem Compound ID
11847171
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Tang and Dr. Zhang.