Drug Information

Drug General Information
Drug ID
D0I7GE
Former ID
DNC004772
Drug Name
ALPHA-NAPHTHOFLAVONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527386]
Structure
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2D MOL

3D MOL
Formula
C19H12O2
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
InChI
1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChIKey
VFMMPHCGEFXGIP-UHFFFAOYSA-N
PubChem Compound ID
11790
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [530867]
DNA-dependent protein kinase catalytic subunit Target Info Inhibitor [527386]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa03450:Non-homologous end-joining
Cell cycle
NetPath Pathway FSH Signaling PathwayNetPath_13:IL1 Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
Pathway Interaction Database DNA-PK pathway in nonhomologous end joining
Coregulation of Androgen receptor activity
Class I PI3K signaling events mediated by Akt
BARD1 signaling events
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Endogenous sterolsR-HSA-5693571:Nonhomologous End-Joining (NHEJ)
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 compoundsWP707:DNA Damage Response
Non-homologous end joining
FAS pathway and Stress induction of HSP regulation
Cytosolic sensors of pathogen-associated DNA
Retinoblastoma (RB) in Cancer
Prostate Cancer
Double-Strand Break Repair
Cell Cycle
miRNA Regulation of DNA Damage Response
References
Ref 527386J Med Chem. 2005 Jan 27;48(2):569-85.Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and radiosensitization of a human tumor cell line in vitro.
Ref 527386J Med Chem. 2005 Jan 27;48(2):569-85.Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and radiosensitization of a human tumor cell line in vitro.
Ref 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).

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