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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 Akt1 AKT serine/threonine kinase 1 multiple interactions ISO AKT1 protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein] CTD PMID:36460225 NCBI chr 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921
JBrowse link
G Bax BCL2 associated X, apoptosis regulator multiple interactions ISO [CALM2 protein affects the susceptibility to Afatinib] which affects the expression of BAX protein; BAX protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein] CTD PMID:36460225 NCBI chr 1:95,940,001...95,945,407
Ensembl chr 1:95,938,808...95,945,368
JBrowse link
G Bbc3 Bcl-2 binding component 3 multiple interactions ISO BBC3 protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein] CTD PMID:36460225 NCBI chr 1:77,013,281...77,022,509
Ensembl chr 1:77,014,543...77,022,509
JBrowse link
G Calm2 calmodulin 2 multiple interactions
affects response to substance
ISO [CALM2 protein affects the susceptibility to Afatinib] which affects the expression of BAX protein; [CALM2 protein affects the susceptibility to Afatinib] which affects the localization of DIABLO protein; [CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein; AKT1 protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein]; BAX protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein]; BBC3 protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein]; MCL1 protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein] CTD PMID:36460225 NCBI chr 6:7,091,624...7,104,284
Ensembl chr 6:7,091,567...7,104,287
Ensembl chr15:7,091,567...7,104,287
JBrowse link
G Casp3 caspase 3 multiple interactions ISO [CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein; AKT1 protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein]; BAX protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein]; BBC3 protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein]; MCL1 protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein] CTD PMID:36460225 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
JBrowse link
G Diablo diablo, IAP-binding mitochondrial protein multiple interactions ISO [CALM2 protein affects the susceptibility to Afatinib] which affects the localization of DIABLO protein CTD PMID:36460225 NCBI chr12:33,055,784...33,070,401
Ensembl chr12:33,055,263...33,070,387
JBrowse link
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...218,302,359
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 chr14:91,176,979...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 Mcl1 MCL1 apoptosis regulator, BCL2 family member multiple interactions ISO MCL1 protein affects the reaction [[CALM2 protein affects the susceptibility to Afatinib] which results in increased cleavage of CASP3 protein] CTD PMID:36460225 NCBI chr 2:183,219,137...183,235,676
Ensembl chr 2:183,219,220...183,222,303
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 1:196,864,336...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
G Set Set nuclear proto-oncogene affects localization ISO Afatinib affects the localization of SET protein alternative form CTD PMID:36534342 NCBI chr 3:13,334,564...13,345,598
Ensembl chr 3:13,335,041...13,363,567
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19860
    role 19832
      application 19675
        pharmaceutical 19517
          drug 19517
            antineoplastic agent 17813
              afatinib 17
                afatinib dimaleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    p-block element atom 19804
                      carbon group element atom 19745
                        carbon atom 19741
                          organic molecular entity 19741
                            heteroorganic entity 19494
                              organochalcogen compound 19257
                                organooxygen compound 19173
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      carboacyl group 17705
                                        univalent carboacyl group 17705
                                          carbamoyl group 17556
                                            carboxamide 17556
                                              alpha,beta-unsaturated carboxylic acid amide 7121
                                                enamide 7121
                                                  afatinib 17
                                                    afatinib dimaleate 0
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