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CHEBI:87236 - PF-670462

ChEBI IDCHEBI:87236
ChEBI NamePF-670462
Stars
DefinitionA hydrochloride salt resulting from the formal reaction of 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine with 2 mol eq. of hydrogen chloride. It is a selective inhibitor of the δ- and ε-isoforms of casein kinase 1 (CK1δ and CK1ε).
Last Modified3 August 2015
SubmitterTheOtherDave
DownloadsMolfile
FormulaC19H20FN5.2HCl
Net Charge0
Average Mass410.324
Monoisotopic Mass409.12363
SMILESCl.Cl.Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1
InChIInChI=1S/C19H20FN5.2ClH/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15;;/h6-12,15H,1-5H2,(H2,21,22,24);2*1H
InChIKeyPSNKGVAXBSAHCH-UHFFFAOYSA-N
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-670462 (CHEBI:87236) has part PF-670462 free base(2+) (CHEBI:87284)
PF-670462 (CHEBI:87236) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
PF-670462 (CHEBI:87236) is a hydrochloride (CHEBI:36807)
IUPAC Name 
4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine dihydrochloride
Registry NumbersSources
Reaxys:11152377Reaxys
CAS:950912-80-8ChemIDplus
Citations