Chemical Component Summary

Name1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
Identifiers1-tert-butyl-3-(4-chlorophenyl)pyrazolo[4,5-e]pyrimidin-2-ium-4-amine
FormulaC15 H17 Cl N5
Molecular Weight302.782
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N
InChIInChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)/p+1
InChIKeyPBBRWFOVCUAONR-UHFFFAOYSA-O

Chemical Details

Formal Charge1
Atom Count38
Chiral Atom Count0
Bond Count40
Aromatic Bond Count17

Drug Info: DrugBank

DrugBank IDDB03023 
Name1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
Groups experimental
Synonyms1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine-protein kinase LynMGCIKSKGKDSLSDDGVDLKTQPVRNTERTIYVRDPTSNKQQRPVPESQL...unknown
Proto-oncogene tyrosine-protein kinase SrcMGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGP...unknown
Tyrosine-protein kinase LckMGCGCSSHPEDDWMENIDVCENCHYPIVPLDGKGTLLIRNGSEVRDPLVT...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