Drug Information

Drug General Information
Drug ID
D0I2DB
Former ID
DNC013231
Drug Name
NSC-37031
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527350]
Structure
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2D MOL

3D MOL
Formula
C20H14N2O7S2
Canonical SMILES
C1=CC=C2C(=C1)C=C(C=C2S(=O)(=O)O)N=[N+](C3=CC4=CC=CC=C4<br />C(=C3)S(=O)(=O)O)[O-]
InChI
1S/C20H14N2O7S2/c23-22(16-10-14-6-2-4-8-18(14)20(12-16)31(27,28)29)21-15-9-13-5-1-3-7-17(13)19(11-15)30(24,25)26/h1-12H,(H,24,25,26)(H,27,28,29)
InChIKey
JOYRCGQZVNLGGX-UHFFFAOYSA-N
PubChem Compound ID
235538
Target and Pathway
Target(s) Phosphoribosylaminoimidazolecarboxamide formyltransferase Target Info Inhibitor [527350]
References
Ref 527350J Med Chem. 2004 Dec 30;47(27):6681-90.Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitors.
Ref 527350J Med Chem. 2004 Dec 30;47(27):6681-90.Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitors.

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