Chemical Component Summary

Name3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
Identifiers3-bromo-5-(2-methylphenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[5,1-b]pyrimidin-7-amine
FormulaC19 H16 Br N5 O
Molecular Weight410.267
TypeNON-POLYMER
Isomeric SMILESCc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-]
InChIInChI=1S/C19H16BrN5O/c1-13-5-2-3-7-15(13)17-9-18(25-19(23-17)16(20)11-22-25)21-10-14-6-4-8-24(26)12-14/h2-9,11-12,21H,10H2,1H3
InChIKeyDXUJQXZHHGJMFM-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count23

Drug Info: DrugBank

DrugBank IDDB07179 
Name3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
Groups experimental
Synonyms3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide

Drug Targets

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
PubChem 11304412
ChEMBL CHEMBL249334