Drug Information

Drug General Information
Drug ID
D0D9NQ
Former ID
DNC013229
Drug Name
NSC-58046
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527350]
Structure
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2D MOL

3D MOL
Formula
C17H15N3O6S2
Canonical SMILES
CC1=C(C=CC(=C1)N)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(<br />=O)(=O)O.[Na+]
InChI
1S/C17H15N3O6S2.Na/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);/q;+1
InChIKey
ZOQLBEREMFTVSI-UHFFFAOYSA-N
PubChem Compound ID
66546
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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