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]
Structure
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2D MOL

3D MOL
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.

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