Drug Information

Drug General Information
Drug ID
D08EZA
Former ID
DNC006732
Drug Name
3-(imidazolylmethyl)-4'-nitroflavone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528327]
Structure
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2D MOL

3D MOL
Formula
C19H13N3O4
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])CN<br />4C=CN=C4
InChI
1S/C19H13N3O4/c23-18-15-3-1-2-4-17(15)26-19(16(18)11-21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-10,12H,11H2
InChIKey
QRPSGPSYOIPDIF-UHFFFAOYSA-N
PubChem Compound ID
11847317
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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