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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:PF-670462
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Accession:CHEBI:87236 term browser browse the term
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 delta- and epsilon-isoforms of casein kinase 1 (CK1delta and CK1epsilon).
Synonyms:exact_synonym: 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine dihydrochloride
 related_synonym: Formula=C19H22Cl2FN5;   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
 xref: CAS:950912-80-8
 xref_mesh: MESH:C522839
 xref: PMID:17502429;   PMID:20407760;   PMID:21927596;   PMID:22168824;   PMID:22549116;   PMID:22743604;   PMID:22832921;   PMID:23349822;   PMID:23863866;   PMID:23936135;   PMID:24076244;   PMID:25245819;   Reaxys:11152377


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Term Annotations click to browse term
  CHEBI ontology 499
    role 499
      biological role 499
        biochemical role 459
          cofactor 30
            ammonium 5
              ammonium ion derivative 5
                PF-670462 free base(2+) 0
                  PF-670462 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      halogen 116
                        chlorine atom 94
                          chlorine molecular entity 94
                            elemental chlorine 13
                              monoatomic chlorine 13
                                chloride 13
                                  chloride salt 13
                                    organic chloride salt 5
                                      hydrochloride 4
                                        PF-670462 0
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