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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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crizotinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G NTRK1 neurotrophic receptor tyrosine kinase 1 decreases activity EXP Crizotinib results in decreased activity of NTRK1 protein CTD PMID:21812414 NCBI chr 4:93,219,509...93,237,944
Ensembl chr 4:93,219,516...93,255,981 		JBrowse link
G NTRK2 neurotrophic receptor tyrosine kinase 2 decreases activity EXP Crizotinib results in decreased activity of NTRK2 protein CTD PMID:21812414 NCBI chr10:30,030,050...30,429,938
Ensembl chr10:30,033,405...30,429,882 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5178
    role 5145
      application 914
        indicator 73
          biomarker 71
            crizotinib 2
              rac-crizotinib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5178
    subatomic particle 5169
      composite particle 5169
        hadron 5169
          baryon 5169
            nucleon 5169
              atomic nucleus 5169
                atom 5169
                  main group element atom 5141
                    p-block element atom 5138
                      carbon group element atom 5057
                        carbon atom 5056
                          organic molecular entity 5056
                            organic molecule 5004
                              organic cyclic compound 4944
                                organic heterocyclic compound 4732
                                  heteroarene 142
                                    monocyclic heteroarene 40
                                      azole 40
                                        diazole 31
                                          pyrazoles 3
                                            pyrazolylpiperidine 2
                                              3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine 2
                                                crizotinib 2
                                                  rac-crizotinib 0
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