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CHEBI:87237 - PF-4800567

ChEBI IDCHEBI:87237
ChEBI NamePF-4800567
Stars
DefinitionA pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidin-4-amine which is substituted at positions 1 and 3 by tetrahydro-2H-pyran-4-yl and (m-chlorophenoxy)methyl groups, respectively. It is a selective inhibitor of the ε isoform of casein kinase 1 (CK1ε).
Last Modified3 August 2015
SubmitterTheOtherDave
DownloadsMolfile
FormulaC17H18ClN5O2
Net Charge0
Average Mass359.817
Monoisotopic Mass359.11490
SMILESNc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1
InChIInChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
InChIKeyAUMDBEHGJRZSOO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
ChEBI Ontology
Outgoing Relation(s)
PF-4800567 (CHEBI:87237) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
PF-4800567 (CHEBI:87237) is a aromatic ether (CHEBI:35618)
PF-4800567 (CHEBI:87237) is a monochlorobenzenes (CHEBI:83403)
PF-4800567 (CHEBI:87237) is a oxanes (CHEBI:46942)
PF-4800567 (CHEBI:87237) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name 
3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Synonym  Source
PF-480ChEBI
Manual XrefsDatabases
PF-4800567Wikipedia
Registry NumbersSources
Reaxys:24283230Reaxys
Citations