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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:dacomitinib
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Accession:CHEBI:132268 term browser browse the term
Definition:A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group.
Synonyms:exact_synonym: (2E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide
 related_synonym: Formula=C24H25ClFN5O2;   InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+;   InChIKey=LVXJQMNHJWSHET-AATRIKPKSA-N;   PF-00299804;   PF-00299804-03;   SMILES=ClC=1C=C(NC2=NC=NC=3C2=CC(NC(=O)\\C=C\\CN4CCCCC4)=C(OC)C3)C=CC1F;   dacomitinibum
 xref: CAS:1110813-31-4;   KEGG:D09883
 xref_mesh: MESH:C525726
 xref: PDBeChem:1C9;   PMID:22753918;   PMID:22761403;   PMID:24853121;   PMID:25669172;   PMID:26179237;   PMID:26768165;   PMID:26792360;   PMID:26899759;   PMID:27070370;   PMID:27289242;   Reaxys:12400147;   Wikipedia:Dacomitinib


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dacomitinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Egfr epidermal growth factor receptor multiple interactions ISO dacomitinib inhibits the reaction [EGFR protein results in increased phosphorylation of EGFR protein] CTD PMID:27491023 NCBI chr14:99,919,485...100,104,136
Ensembl chr14:99,919,485...100,098,796
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Term Annotations click to browse term
  CHEBI ontology 19883
    role 19833
      application 19505
        pharmaceutical 19375
          drug 19375
            antineoplastic agent 17034
              dacomitinib 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic group 18580
                              organic divalent group 18571
                                organodiyl group 18571
                                  carbonyl group 18479
                                    carbonyl compound 18479
                                      carboxylic acid 18153
                                        carboacyl group 17410
                                          univalent carboacyl group 17410
                                            carbamoyl group 17192
                                              carboxamide 17192
                                                alpha,beta-unsaturated carboxylic acid amide 4772
                                                  enamide 4772
                                                    dacomitinib 1
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