Drug Information

Drug General Information
Drug ID
D03NSJ
Former ID
DNC013230
Drug Name
NSC-45592
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527350]
Structure
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2D MOL

3D MOL
Formula
C22H16N4O7S2
Canonical SMILES
C1=CC2=C(C(=NNC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)C<br />=CC2=O)C(=C1)S(=O)(=O)O
InChI
1S/C22H16N4O7S2/c27-20-13-12-19(22-18(20)2-1-3-21(22)35(31,32)33)26-25-15-6-4-14(5-7-15)23-24-16-8-10-17(11-9-16)34(28,29)30/h1-13,25H,(H,28,29,30)(H,31,32,33)/b24-23?,26-19+
InChIKey
HPNAINUKVZIHJS-JFLQPXSTSA-N
PubChem Compound ID
9572880
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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