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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
Ensembl chr 1:196,864,336...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 20089
    role 20042
      application 19781
        pharmaceutical 19624
          drug 19655
            antineoplastic agent 17669
              afatinib 9
                afatinib dimaleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      carboxylic acid 18597
                                        carboacyl group 17730
                                          univalent carboacyl group 17710
                                            carbamoyl group 17550
                                              carboxamide 17570
                                                alpha,beta-unsaturated carboxylic acid amide 6724
                                                  enamide 6716
                                                    afatinib 9
                                                      afatinib dimaleate 0
paths to the root