Drug Information

Drug General Information
Drug ID
D0X2NH
Former ID
DNC013226
Drug Name
NSC-126445
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527350]
Structure
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2D MOL

3D MOL
Formula
C34H52N2O2S
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(C4CCC5(C(C4CCC3=C2)CCC<br />5C(C)CCCC(C)C)C)C
InChI
1S/C34H52N2O2S/c1-23(2)8-7-9-25(4)30-16-17-31-29-15-12-26-22-27(18-20-33(26,5)32(29)19-21-34(30,31)6)35-36-39(37,38)28-13-10-24(3)11-14-28/h10-11,13-14,22-23,25,29-32,36H,7-9,12,15-21H2,1-6H3/b35-27+
InChIKey
PDENTDVQTUHVQO-ROMHNNFLSA-N
PubChem Compound ID
44421368
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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