Drug General Information
Drug ID
D0GE8S
Former ID
DNC007864
Drug Name
ES-936
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529109]
Structure
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2D MOL

3D MOL

Formula
C18H16N2O6
Canonical SMILES
CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC3=CC=C(C=C3)[N+](=O)<br />[O-]
InChI
1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3
InChIKey
IBLWSLZYYZHSRG-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) NAD(P)H dehydrogenase [quinone] 1 Target Info Inhibitor [529109]
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 529109J Med Chem. 2007 Nov 15;50(23):5780-9. Epub 2007 Oct 18.Synthesis and evaluation of 3-aryloxymethyl-1,2-dimethylindole-4,7-diones as mechanism-based inhibitors of NAD(P)H:quinone oxidoreductase 1 (NQO1) activity.
Ref 529109J Med Chem. 2007 Nov 15;50(23):5780-9. Epub 2007 Oct 18.Synthesis and evaluation of 3-aryloxymethyl-1,2-dimethylindole-4,7-diones as mechanism-based inhibitors of NAD(P)H:quinone oxidoreductase 1 (NQO1) activity.

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