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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 Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 multiple interactions
affects metabolic processing
ISO Quinidine affects the reaction [CYP2D6 protein polymorphism affects the metabolism of dacomitinib] CTD PMID:34936353 NCBI chr 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759
JBrowse link
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 chr14:91,176,979...91,349,722
Ensembl chr14:91,177,067...91,344,382
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19904
    role 19880
      application 19715
        pharmaceutical 19552
          drug 19552
            antineoplastic agent 17762
              dacomitinib 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19904
    subatomic particle 19902
      composite particle 19902
        hadron 19902
          baryon 19902
            nucleon 19902
              atomic nucleus 19902
                atom 19902
                  main group element atom 19852
                    p-block element atom 19852
                      carbon group element atom 19797
                        carbon atom 19792
                          organic molecular entity 19792
                            organic group 18983
                              organic divalent group 18958
                                organodiyl group 18958
                                  carbonyl group 18911
                                    carbonyl compound 18911
                                      carboxylic acid 18634
                                        carboacyl group 17707
                                          univalent carboacyl group 17707
                                            carbamoyl group 17552
                                              carboxamide 17552
                                                alpha,beta-unsaturated carboxylic acid amide 7110
                                                  enamide 7110
                                                    dacomitinib 2
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