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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:afatinib
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Accession:CHEBI:61390 term browser browse the term
Definition:A quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an (S)-tetrahydrofuran-3-yloxy group at the 7-position. Used (as its dimaleate salt) for the first-line treatment of patients with metastatic non-small cell lung cancer.
Synonyms:exact_synonym: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
 related_synonym: BIBW 2992;   Formula=C24H25ClFN5O3;   InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1;   InChIKey=ULXXDDBFHOBEHA-CWDCEQMOSA-N;   SMILES=CN(C)C\\C=C\\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1;   afatinibum
 xref: CAS:850140-72-6;   DrugBank:DB08916;   Drug_Central:4318;   KEGG:D09724
 xref_mesh: MESH:C522924
 xref: PDBeChem:0WM;   PMID:21732753;   PMID:21737652;   PMID:22006669;   PMID:22071596;   PMID:22200729;   PMID:22257651;   PMID:22325357;   PMID:22418700;   PMID:22763464;   PMID:22888144;   PMID:23161334;   PMID:23161335;   PMID:23293114;   PMID:23443806;   PMID:23506519;   PMID:23578997;   PMID:23664448;   PMID:23813493;   PMID:23816960;   PMID:23816967;   PMID:23982599;   PMID:24019332;   PMID:24085260;   Reaxys:11746023;   Wikipedia:Afatinib


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Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      application 863
        pharmaceutical 723
          drug 713
            antineoplastic agent 179
              afatinib 0
                afatinib dimaleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbon oxoacid 368
                                    carboxylic acid 364
                                      carboacyl group 209
                                        univalent carboacyl group 209
                                          carbamoyl group 206
                                            carboxamide 211
                                              alpha,beta-unsaturated carboxylic acid amide 15
                                                enamide 15
                                                  afatinib 0
                                                    afatinib dimaleate 0
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