HDT

4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE

Created:2003-06-24
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count43
Aromatic Bond Count23
2D diagram of HDT

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Chemical Component Summary

Name4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE
Systematic Name (OpenEye OEToolkits)4-[(4-imidazo[3,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
FormulaC17 H14 N6 O2 S
Molecular Weight366.397
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(N)c1ccc(cc1)Nc2nccc(n2)c3cnc4ccccn34
SMILESCACTVS3.341N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1
SMILESOpenEye OEToolkits1.5.0c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N
Canonical SMILESCACTVS3.341 N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3cnc4ccccn34)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N
InChIInChI1.03 InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
InChIKeyInChI1.03 NKORVPQBJCGYEC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02197 
Name4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide
Groups experimental
Synonyms4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Cyclin-dependent kinase 2MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL73303
PubChem 5288527
ChEMBL CHEMBL73303