Drug Information

Drug General Information
Drug ID
D05YCQ
Former ID
DNC013228
Drug Name
NSC-47729
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527350]
Structure
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2D MOL

3D MOL
Formula
C23H19ClN4O7S2
Canonical SMILES
CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NN=C3C(=NN(C3=O)C4<br />=C(C=C(C=C4)Cl)S(=O)(=O)O)C
InChI
1S/C23H19ClN4O7S2/c1-14-3-8-18(9-4-14)35-37(33,34)19-10-6-17(7-11-19)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32/h3-13,25H,1-2H3,(H,30,31,32)/b26-22+
InChIKey
SEJAMPLDBTXVNS-XTCLZLMSSA-N
PubChem Compound ID
44421366
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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