Drug Information

Drug General Information
Drug ID
D04VRY
Former ID
DNC006736
Drug Name
3-(imidazolylmethyl)-7-methoxy-4'-nitroflavone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528327]
Structure
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2D MOL

3D MOL
Formula
C20H15N3O5
Canonical SMILES
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])<br />CN4C=CN=C4
InChI
1S/C20H15N3O5/c1-27-15-6-7-16-18(10-15)28-20(13-2-4-14(5-3-13)23(25)26)17(19(16)24)11-22-9-8-21-12-22/h2-10,12H,11H2,1H3
InChIKey
DTEZOESXMOWJRN-UHFFFAOYSA-N
PubChem Compound ID
11847169
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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