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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 00299804-03;   PF-00299804;   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 chr14:91,176,931...91,349,722
Ensembl chr14:91,177,067...91,344,382
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Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      application 19498
        pharmaceutical 19356
          drug 19356
            antineoplastic agent 17359
              dacomitinib 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        carboacyl group 17469
                                          univalent carboacyl group 17469
                                            carbamoyl group 17285
                                              carboxamide 17285
                                                alpha,beta-unsaturated carboxylic acid amide 6718
                                                  enamide 6718
                                                    dacomitinib 1
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