Chemical Component Summary

Name2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE
Identifiers2-[[(6Z)-6-(3-chlorophenyl)imino-9-propan-2-yl-3H-purin-2-yl]amino]ethanol
FormulaC16 H19 Cl N6 O
Molecular Weight346.815
TypeNON-POLYMER
Isomeric SMILESCC(C)n1cnc\2c1NC(=N/C2=N\c3cccc(c3)Cl)NCCO
InChIInChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
InChIKeyXZEFMZCNXDQXOZ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count45
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB08325 
Name2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
Groups experimental
Synonyms
  • 2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
  • 2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
CAS number212779-48-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Casein kinase I isoform gamma-1MDHPSREKDERQRTTKPMAQRSAHCSRPSGSSSSSGVLMVGPNFRVGKKI...unknown
Tyrosine-protein kinase MerMGPAPLPLLLGLFLPALWRRAITEAREEAKPYPLFPGPFPGSLQTDHTPL...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 2856
ChEMBL CHEMBL311228