Drug Information

Drug General Information
Drug ID
D0W9ZH
Former ID
DNC011330
Drug Name
NSC-720622
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531262]
Structure
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2D MOL

3D MOL
Formula
C27H23F3N4O5S
Canonical SMILES
C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C=C(C=C3)[N+<br />](=O)[O-])C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]
InChI
1S/C26H23N4O2.CHF3O3S/c1-27(2)20-11-9-18(10-12-20)15-22-23-16-21(30(31)32)13-14-24(23)29-26(22)17-25(28(29)3)19-7-5-4-6-8-19;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey
CKJNKVUCIFATCQ-UHFFFAOYSA-M
PubChem Compound ID
52942470
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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