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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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afatinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Egf epidermal growth factor multiple interactions ISO afatinib inhibits the reaction [EGF protein results in increased expression of EHMT2 protein]; afatinib inhibits the reaction [EGF protein results in increased expression of POU5F1 protein] CTD PMID:28787001 NCBI chr 2:218,219,408...218,302,370
Ensembl chr 2:218,219,415...218,302,064
JBrowse link
G Egfr epidermal growth factor receptor decreases activity
decreases phosphorylation
ISO afatinib results in decreased activity of EGFR protein; afatinib results in decreased activity of EGFR protein mutant form
afatinib results in decreased phosphorylation of EGFR protein
CTD PMID:21322567 PMID:22242139 PMID:28787001 NCBI chr14:91,176,931...91,349,722
Ensembl chr14:91,177,067...91,344,382
JBrowse link
G Ehmt2 euchromatic histone lysine methyltransferase 2 multiple interactions ISO afatinib inhibits the reaction [EGF protein results in increased expression of EHMT2 protein] CTD PMID:28787001 NCBI chr20:3,919,623...3,936,751
Ensembl chr20:3,919,624...3,941,547
JBrowse link
G Ikbkb inhibitor of nuclear factor kappa B kinase subunit beta decreases expression ISO afatinib results in decreased expression of IKBKB protein CTD PMID:22242139 NCBI chr16:69,319,487...69,373,251
Ensembl chr16:69,319,554...69,373,250
JBrowse link
G Iqgap1 IQ motif containing GTPase activating protein 1 decreases phosphorylation ISO Afatinib results in decreased phosphorylation of IQGAP1 protein CTD PMID:33087447 NCBI chr 1:134,679,581...134,769,776
Ensembl chr 1:134,679,586...134,769,755
JBrowse link
G Muc5ac mucin 5AC, oligomeric mucus/gel-forming multiple interactions ISO Afatinib inhibits the reaction [[Smoke results in increased abundance of Particulate Matter] which results in increased expression of MUC5AC mRNA] CTD PMID:31944254 NCBI chr 1:196,864,375...196,896,475 JBrowse link
G Nfkb1 nuclear factor kappa B subunit 1 multiple interactions ISO afatinib results in decreased activity of [RELA protein binds to NFKB1 protein] CTD PMID:22242139 NCBI chr 2:224,016,214...224,132,135
Ensembl chr 2:224,016,214...224,110,404
JBrowse link
G Pou5f1 POU class 5 homeobox 1 decreases expression
multiple interactions
ISO afatinib results in decreased expression of POU5F1 protein
afatinib inhibits the reaction [EGF protein results in increased expression of POU5F1 protein]
CTD PMID:28787001 NCBI chr20:3,223,128...3,227,891
Ensembl chr20:3,223,129...3,227,891
JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit multiple interactions ISO afatinib results in decreased activity of [RELA protein binds to NFKB1 protein] CTD PMID:22242139 NCBI chr 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    role 19761
      application 19471
        pharmaceutical 19319
          drug 19319
            antineoplastic agent 17316
              afatinib 9
                afatinib dimaleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        carboacyl group 17482
                                          univalent carboacyl group 17482
                                            carbamoyl group 17298
                                              carboxamide 17298
                                                alpha,beta-unsaturated carboxylic acid amide 6706
                                                  enamide 6706
                                                    afatinib 9
                                                      afatinib dimaleate 0
paths to the root