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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 Akt1 AKT serine/threonine kinase 1 multiple interactions ISO ceritinib analog results in decreased expression of and results in decreased phosphorylation of AKT1 protein CTD PMID:35803438 NCBI chr 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921 		JBrowse link
G Alk ALK receptor tyrosine kinase affects response to substance
decreases phosphorylation
decreases activity		 ISO ALK protein affects the susceptibility to ceritinib
ceritinib analog results in decreased phosphorylation of ALK protein
ceritinib results in decreased activity of ALK protein		 CTD PMID:26144315 PMID:29458018 PMID:35803438 NCBI chr 6:22,879,653...23,599,636
Ensembl chr 6:22,880,625...23,598,034 		JBrowse link
G Bax BCL2 associated X, apoptosis regulator increases expression ISO ceritinib analog results in increased expression of BAX protein CTD PMID:35803438 NCBI chr 1:95,940,001...95,945,407
Ensembl chr 1:95,938,808...95,945,368 		JBrowse link
G Bcl2 BCL2, apoptosis regulator decreases expression ISO ceritinib analog results in decreased expression of BCL2 protein CTD PMID:35803438 NCBI chr13:22,689,783...22,853,920
Ensembl chr13:22,684,989...22,853,743
Ensembl chr13:22,684,989...22,853,743 		JBrowse link
G Casp3 caspase 3 increases cleavage ISO ceritinib analog results in increased cleavage of CASP3 protein CTD PMID:35803438 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648 		JBrowse link
G Casp9 caspase 9 increases cleavage ISO ceritinib analog results in increased cleavage of CASP9 protein CTD PMID:35803438 NCBI chr 5:154,108,872...154,126,628
Ensembl chr 5:154,109,046...154,126,626 		JBrowse link
G Cycs cytochrome c, somatic affects localization ISO ceritinib analog affects the localization of CYCS protein CTD PMID:35803438 NCBI chr 4:79,651,894...79,653,994
Ensembl chr 4:79,651,378...79,654,054
Ensembl chr18:79,651,378...79,654,054 		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
G Jak3 Janus kinase 3 decreases expression ISO ceritinib analog results in decreased expression of JAK3 protein CTD PMID:35803438 NCBI chr16:18,386,330...18,398,542
Ensembl chr16:18,386,405...18,398,536 		JBrowse link
G Mapk1 mitogen activated protein kinase 1 multiple interactions ISO ceritinib analog results in decreased expression of and results in decreased phosphorylation of MAPK1 protein CTD PMID:35803438 NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616 		JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions ISO ceritinib analog results in decreased expression of and results in decreased phosphorylation of MAPK3 protein CTD PMID:35803438 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863 		JBrowse link
G Mcl1 MCL1 apoptosis regulator, BCL2 family member decreases expression ISO ceritinib analog results in decreased expression of MCL1 protein CTD PMID:35803438 NCBI chr 2:183,219,137...183,235,676
Ensembl chr 2:183,219,220...183,222,303 		JBrowse link
G Nfkbia NFKB inhibitor alpha multiple interactions ISO ceritinib analog results in decreased expression of and results in decreased phosphorylation of NFKBIA protein CTD PMID:35803438 NCBI chr 6:72,858,713...72,861,941
Ensembl chr 6:72,858,712...72,861,941 		JBrowse link
G Pik3c3 phosphatidylinositol 3-kinase, catalytic subunit type 3 decreases expression ISO ceritinib analog results in decreased expression of PIK3C3 protein CTD PMID:35803438 NCBI chr18:21,845,282...21,934,387
Ensembl chr18:21,845,295...21,929,048 		JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit affects localization
multiple interactions		 ISO ceritinib analog affects the localization of RELA protein
ceritinib analog results in decreased expression of and results in decreased phosphorylation of RELA protein		 CTD PMID:35803438 NCBI chr 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484 		JBrowse link
G Stat3 signal transducer and activator of transcription 3 multiple interactions ISO ceritinib analog results in decreased expression of and results in decreased phosphorylation of STAT3 protein CTD PMID:35803438 NCBI chr10:85,811,206...85,863,057
Ensembl chr10:85,811,218...85,863,057 		JBrowse link
G Traf2 Tnf receptor-associated factor 2 decreases expression ISO ceritinib analog results in decreased expression of TRAF2 protein CTD PMID:35803438 NCBI chr 3:8,341,950...8,366,609
Ensembl chr 3:8,341,951...8,366,538 		JBrowse link
Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 19932
    role 19904
      application 19741
        pharmaceutical 19579
          drug 19579
            antineoplastic agent 17820
              ceritinib 17
Path 2
Term Annotations click to browse term
  CHEBI ontology 19932
    subatomic particle 19930
      composite particle 19930
        hadron 19930
          baryon 19930
            nucleon 19930
              atomic nucleus 19930
                atom 19930
                  main group element atom 19876
                    main group molecular entity 19876
                      s-block molecular entity 19705
                        hydrogen molecular entity 19686
                          hydrides 19179
                            inorganic hydride 18191
                              pnictogen hydride 18181
                                nitrogen hydride 18092
                                  azane 17895
                                    ammonia 17894
                                      organic amino compound 17894
                                        aromatic amine 15496
                                          aminopyrimidine 1931
                                            ceritinib 17
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