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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:crizotinib
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Accession:CHEBI:64310 term browser browse the term
Definition:A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC)
Synonyms:exact_synonym: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine
 related_synonym: (R)-crizotinib;   Formula=C21H22Cl2FN5O;   InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1;   InChIKey=KTEIFNKAUNYNJU-GFCCVEGCSA-N;   PF 2341066;   SMILES=C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl;   crizotinibum
 alt_id: CHEBI:77554
 xref: CAS:877399-52-5;   Drug_Central:4187;   KEGG:D09731;   LINCS:LSM-1027
 xref_mesh: MESH:C551994
 xref: PMID:21308771;   PMID:22129595;   PMID:22129984;   PMID:22191798;   PMID:22215748;   PMID:22233293;   PMID:22235099;   PMID:22277784;   PMID:22282074;   PMID:22311682;   PMID:22316363;   PMID:22321987;   PMID:22323827;   PMID:22385925;   PMID:22397764;   PMID:22435662;   PMID:22443113;   PMID:24427836;   PMID:24444403;   PMID:24455567;   PMID:24486291;   PMID:24491302;   PMID:24556908;   Reaxys:12133926;   Wikipedia:Crizotinib
 cyclic_relationship: is_enantiomer_of CHEBI:77555


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  CHEBI ontology 0
    role 0
      application 0
        indicator 0
          biomarker 0
            crizotinib 0
              rac-crizotinib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  heteroarene 0
                                    monocyclic heteroarene 0
                                      azole 0
                                        diazole 0
                                          pyrazoles 0
                                            pyrazolylpiperidine 0
                                              3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine 0
                                                crizotinib 0
                                                  rac-crizotinib 0
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