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CHEBI:87283 - PF-670462 free base

ChEBI IDCHEBI:87283
ChEBI NamePF-670462 free base
Stars
DefinitionA member of the class of imidazoles that is 1H-imidazole which is substituted at positions 1, 4, and 5 by cyclohexyl, p-fluorophenyl, and 2-aminopyrimidin-4-yl groups, respectively. It is a selective inhibitor of the δ- and ε-isoforms of casein kinase 1 (CK1δ and CK1ε).
Last Modified3 August 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H20FN5
Net Charge0
Average Mass337.402
Monoisotopic Mass337.17027
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1
InChIInChI=1S/C19H20FN5/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)
InChIKeyWUDBUIUHVNECTM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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 free base (CHEBI:87283) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
PF-670462 free base (CHEBI:87283) is a aminopyrimidine (CHEBI:38338)
PF-670462 free base (CHEBI:87283) is a imidazoles (CHEBI:24780)
PF-670462 free base (CHEBI:87283) is a monofluorobenzenes (CHEBI:83575)
PF-670462 free base (CHEBI:87283) is conjugate base of PF-670462 free base(2+) (CHEBI:87284)
Incoming Relation(s)
PF-670462 free base(2+) (CHEBI:87284) is conjugate acid of PF-670462 free base (CHEBI:87283)
IUPAC Name 
4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine
Synonyms  Source
free base of PF-670462ChEBI
4-(1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)-2-pyrimidinamineChemIDplus
Registry NumbersSources
Reaxys:11152378Reaxys
CAS:950980-98-0ChemIDplus