Chemical Component Summary

NameN~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine
SynonymsReversine
IdentifiersN'-cyclohexyl-N-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine
FormulaC21 H27 N7 O
Molecular Weight393.485
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)nc[nH]3)N5CCOCC5
InChIInChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
InChIKeyZFLJHSQHILSNCM-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count60
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB07340 
NameReversine
Groups experimental
Synonyms
  • Reversine
  • 2-(4-morpholinoanilino)-6-cyclohexylaminopurine
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Oxazines
  • Protein Kinase Inhibitors
CAS number656820-32-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Aurora kinase BMAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPT...unknown
Inner centromere proteinMGTTAPGPIHLLELCDQKLMEFLCNMDNKDLVWLEEIQEEAERMFTREFS...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 CHEMBL188343
PubChem 210332
ChEMBL CHEMBL188343
ChEBI CHEBI:70723