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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 226
    role 226
      application 193
        indicator 7
          biomarker 7
            crizotinib 0
              rac-crizotinib 0
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Term Annotations click to browse term
  CHEBI ontology 226
    subatomic particle 226
      composite particle 226
        hadron 226
          baryon 226
            nucleon 226
              atomic nucleus 226
                atom 226
                  main group element atom 219
                    p-block element atom 219
                      carbon group element atom 208
                        carbon atom 207
                          organic molecular entity 207
                            organic molecule 201
                              organic cyclic compound 185
                                organic heterocyclic compound 143
                                  heteroarene 25
                                    monocyclic heteroarene 13
                                      azole 13
                                        diazole 12
                                          pyrazoles 4
                                            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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