CHEBI:87236 - PF-670462

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ChEBI Name PF-670462
ChEBI ID CHEBI:87236
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter TheOtherDave
Supplier Information
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Formula C19H22Cl2FN5
Net Charge 0
Average Mass 410.31600
Monoisotopic Mass 409.12363
InChI InChI=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
InChIKey PSNKGVAXBSAHCH-UHFFFAOYSA-N
SMILES Cl.Cl.Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 Numbers Types Sources
11152377 Reaxys Registry Number Reaxys
950912-80-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17502429 PubMed citation Europe PMC
20407760 PubMed citation Europe PMC
21927596 PubMed citation Europe PMC
22168824 PubMed citation Europe PMC
22549116 PubMed citation Europe PMC
22743604 PubMed citation Europe PMC
22832921 PubMed citation Europe PMC
23349822 PubMed citation Europe PMC
23863866 PubMed citation Europe PMC
23936135 PubMed citation Europe PMC
24076244 PubMed citation Europe PMC
25245819 PubMed citation Europe PMC
Last Modified
03 August 2015