Drug Information

Drug General Information
Drug ID
D0K0TO
Former ID
DNC011302
Drug Name
NSC-78017
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531262]
Structure
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2D MOL

3D MOL
Formula
C13H13N2+
Canonical SMILES
CC1=CC2=C(N1)C=CC3=C2C=CC=[N+]3C.[I-]
InChI
1S/C13H12N2.HI/c1-9-8-11-10-4-3-7-15(2)13(10)6-5-12(11)14-9;/h3-8H,1-2H3;1H
InChIKey
YMNYODFONHNLBW-UHFFFAOYSA-N
PubChem Compound ID
3694504
Target and Pathway
Target(s) NRH dehydrogenase [quinone] 2 Target Info Inhibitor [531262]
References
Ref 531262Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).
Ref 531262Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).

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