Drug General Information
Drug ID
D0B4GV
Former ID
DNC007891
Drug Name
4-amino-2H-chromen-2-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529150]
Structure
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2D MOL

3D MOL

Formula
C9H7NO2
Canonical SMILES
C1=CC=C2C(=C1)C(=CC(=O)O2)N
InChI
1S/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2
InChIKey
AHZAKFLOHIRCDU-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) NAD(P)H dehydrogenase [quinone] 1 Target Info Inhibitor [529150]
KEGG Pathway Ubiquinone and other terpenoid-quinone biosynthesis
NetPath Pathway TCR Signaling Pathway
Pathway Interaction Database Validated transcriptional targets of TAp63 isoforms
PathWhiz Pathway Vitamin K Metabolism
WikiPathways Estrogen metabolism
Oxidative Stress
Transcriptional activation by NRF2
NRF2 pathway
Nuclear Receptors Meta-Pathway
Aryl Hydrocarbon Receptor Pathway
Apoptosis-related network due to altered Notch3 in ovarian cancer
Metabolism of amino acids and derivatives
Aryl Hydrocarbon Receptor
Dopamine metabolism
Arylhydrocarbon receptor (AhR) signaling pathway
References
Ref 529150J Med Chem. 2007 Dec 13;50(25):6316-25. Epub 2007 Nov 14.Coumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity.
Ref 529150J Med Chem. 2007 Dec 13;50(25):6316-25. Epub 2007 Nov 14.Coumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity.

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