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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 7:115,762,662...115,771,832 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 chr14:95,378,626...95,551,358 JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19898
    role 19869
      application 19715
        pharmaceutical 19551
          drug 19551
            antineoplastic agent 17840
              dacomitinib 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            heteroorganic entity 19535
                              organochalcogen compound 19296
                                organooxygen compound 19213
                                  carbon oxoacid 18682
                                    carboxylic acid 18679
                                      carboacyl group 17726
                                        univalent carboacyl group 17726
                                          carbamoyl group 17570
                                            carboxamide 17570
                                              alpha,beta-unsaturated carboxylic acid amide 7125
                                                enamide 7125
                                                  dacomitinib 2
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