LZB

5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Created: 2008-05-15
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count10
2D diagram of LZB

Chemical Component Summary

Name5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
FormulaC10 H10 Cl N5
Molecular Weight235.673
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04N#Cc1cnn2c(cc(Cl)nc12)NC(C)C
SMILESCACTVS3.341CC(C)Nc1cc(Cl)nc2n1ncc2C#N
SMILESOpenEye OEToolkits1.5.0CC(C)Nc1cc(nc2n1ncc2C#N)Cl
Canonical SMILESCACTVS3.341 CC(C)Nc1cc(Cl)nc2n1ncc2C#N
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)Nc1cc(nc2n1ncc2C#N)Cl
InChIInChI1.03 InChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3
InChIKeyInChI1.03 HFTLYNKTSANXFA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08139 
Name5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Groups experimental
Synonyms5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

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 24971312
ChEMBL CHEMBL458926