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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
decreases activity
ISO ALK protein affects the susceptibility to ceritinib
ceritinib results in decreased activity of ALK protein
CTD PMID:26144315 PMID:29458018 NCBI chr 6:22,879,653...23,599,636
Ensembl chr 6:22,880,625...23,598,034
JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO ceritinib results in increased secretion of GPT protein CTD PMID:29655783 NCBI chr 7:108,416,646...108,419,495
Ensembl chr 7:108,416,642...108,419,494
JBrowse link

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  CHEBI ontology 20056
    role 20008
      application 19745
        pharmaceutical 19618
          drug 19618
            antineoplastic agent 17639
              ceritinib 2
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  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    main group molecular entity 19956
                      s-block molecular entity 19752
                        hydrogen molecular entity 19745
                          hydrides 19114
                            inorganic hydride 17882
                              pnictogen hydride 17865
                                nitrogen hydride 17754
                                  azane 17503
                                    ammonia 17502
                                      organic amino compound 17502
                                        aromatic amine 14911
                                          aminopyrimidine 1686
                                            ceritinib 2
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