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]
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Tang and Dr. Zhang.