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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:ceritinib
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Accession:CHEBI:78432 term browser browse the term
Definition:A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer.
Synonyms:exact_synonym: 5-chloro-N(2)-{5-methyl-4-(piperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N(4)-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
 related_synonym: Formula=C28H36ClN5O3S;   InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34);   InChIKey=VERWOWGGCGHDQE-UHFFFAOYSA-N;   SMILES=N=1C(=NC(=C(C1)Cl)NC=2C(=CC=CC2)S(C(C)C)(=O)=O)NC=3C=C(C(=CC3OC(C)C)C4CCNCC4)C;   ZYKADIA;   ceritinibum
 xref: CAS:1032900-25-6;   Drug_Central:4866;   LINCS:LSM-36374
 xref_mesh: MESH:C586847
 xref: PMID:24670165;   PMID:24675041;   PMID:24789171;   PMID:24856155;   PMID:24891360;   PMID:24963575;   PMID:24963576;   PMID:24980964;   PMID:24984564;   PMID:24998601;   PMID:25002599;   Reaxys:18383989;   Wikipedia:Ceritinib


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ceritinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Alk ALK receptor tyrosine kinase affects response to substance ISO ALK protein affects the susceptibility to ceritinib CTD PMID:29458018 NCBI chr 6:22,696,415...23,203,791
Ensembl chr 6:22,696,397...23,203,775
JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO ceritinib results in increased secretion of GPT protein CTD PMID:29655783 NCBI chr 7:117,759,083...117,761,932
Ensembl chr 7:117,759,083...117,761,931
JBrowse link

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  CHEBI ontology 19770
    role 19720
      application 19411
        pharmaceutical 19299
          drug 19299
            antineoplastic agent 17257
              ceritinib 2
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Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    main group molecular entity 19662
                      s-block molecular entity 19429
                        hydrogen molecular entity 19423
                          hydrides 18758
                            inorganic hydride 17453
                              pnictogen hydride 17428
                                nitrogen hydride 17272
                                  azane 17003
                                    ammonia 17002
                                      organic amino compound 17001
                                        aromatic amine 13670
                                          aminopyrimidine 1292
                                            ceritinib 2
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