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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:canertinib
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Accession:CHEBI:61399 term browser browse the term
Definition:A quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a propenamido group at the 6-position, and a 3-morpholinopropoxy group at the 7-position.
Synonyms:exact_synonym: N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide
 related_synonym: CI-1033;   Formula=C24H25ClFN5O3;   InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29);   InChIKey=OMZCMEYTWSXEPZ-UHFFFAOYSA-N;   SMILES=Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
 xref: CAS:267243-28-7;   LINCS:LSM-1120
 xref_mesh: MESH:C420268
 xref: PMID:11706399;   PMID:15534081


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canertinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Aifm1 apoptosis inducing factor, mitochondria associated 1 multiple interactions ISO Canertinib inhibits the reaction [Acetaminophen results in increased transport of AIFM1 protein] CTD PMID:28123000 NCBI chr  X:127,650,223...127,689,356 JBrowse link
G Ccnd1 cyclin D1 multiple interactions ISO Canertinib inhibits the reaction [Acetaminophen promotes the reaction [[CCND1 protein binds to and results in increased activity of CDK4 protein] which results in increased phosphorylation of RB1 protein]]; Canertinib inhibits the reaction [Acetaminophen results in increased expression of CCND1 protein] CTD PMID:28123000 NCBI chr 1:200,089,002...200,098,524 JBrowse link
G Cdk4 cyclin-dependent kinase 4 multiple interactions ISO Canertinib inhibits the reaction [Acetaminophen promotes the reaction [[CCND1 protein binds to and results in increased activity of CDK4 protein] which results in increased phosphorylation of RB1 protein]]; Canertinib inhibits the reaction [Acetaminophen results in increased expression of CDK4 protein] CTD PMID:28123000 NCBI chr 7:62,885,647...62,889,562 JBrowse link
G Egf epidermal growth factor multiple interactions ISO Canertinib inhibits the reaction [EGF protein results in increased phosphorylation of EGFR protein]; Canertinib inhibits the reaction [EGF protein results in increased phosphorylation of ERBB2 protein]; Canertinib inhibits the reaction [EGF protein results in increased phosphorylation of MAPK1 protein]; Canertinib inhibits the reaction [EGF protein results in increased phosphorylation of MAPK3 protein] CTD PMID:18927496 NCBI chr 2:218,219,408...218,302,370 JBrowse link
G Egfr epidermal growth factor receptor multiple interactions
decreases phosphorylation
decreases activity
ISO Canertinib inhibits the reaction [EGF protein results in increased phosphorylation of EGFR protein]
Canertinib inhibits the reaction [Acetaminophen affects the localization of EGFR protein]; Canertinib inhibits the reaction [Acetaminophen results in increased phosphorylation of and results in increased activity of EGFR protein]
Canertinib results in decreased phosphorylation of EGFR protein
Canertinib results in decreased activity of EGFR protein; Canertinib results in decreased activity of EGFR protein mutant form
CTD PMID:15956251 PMID:18927496 PMID:21322567 PMID:28123000 NCBI chr14:91,176,931...91,349,722 JBrowse link
G Endog endonuclease G multiple interactions ISO Canertinib inhibits the reaction [Acetaminophen results in increased transport of ENDOG protein] CTD PMID:28123000 NCBI chr 3:13,449,113...13,451,715 JBrowse link
G Erbb2 erb-b2 receptor tyrosine kinase 2 multiple interactions ISO Canertinib inhibits the reaction [EGF protein results in increased phosphorylation of ERBB2 protein] CTD PMID:18927496 NCBI chr10:83,411,197...83,435,078 JBrowse link
G Mapk1 mitogen activated protein kinase 1 multiple interactions ISO Canertinib inhibits the reaction [EGF protein results in increased phosphorylation of MAPK1 protein] CTD PMID:18927496 NCBI chr11:83,957,813...84,023,629 JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions ISO Canertinib inhibits the reaction [EGF protein results in increased phosphorylation of MAPK3 protein] CTD PMID:18927496 NCBI chr 1:181,366,646...181,372,863 JBrowse link
G Rb1 RB transcriptional corepressor 1 multiple interactions ISO Canertinib inhibits the reaction [Acetaminophen promotes the reaction [[CCND1 protein binds to and results in increased activity of CDK4 protein] which results in increased phosphorylation of RB1 protein]]; Canertinib inhibits the reaction [Acetaminophen results in increased phosphorylation of RB1 protein] CTD PMID:28123000 NCBI chr15:48,371,295...48,502,473 JBrowse link
G Tgfb1 transforming growth factor, beta 1 decreases activity ISO Canertinib results in decreased activity of TGFB1 protein CTD PMID:31652400 NCBI chr 1:81,196,532...81,212,848 JBrowse link
G Vegfa vascular endothelial growth factor A decreases expression
decreases secretion
ISO Canertinib results in decreased expression of VEGFA mRNA; Canertinib results in decreased expression of VEGFA protein
Canertinib results in decreased secretion of VEGFA protein
CTD PMID:15956251 NCBI chr 9:14,955,300...14,970,641 JBrowse link

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  CHEBI ontology 19762
    role 19708
      application 19396
        pharmaceutical 19294
          drug 19294
            antineoplastic agent 17296
              canertinib 12
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  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    p-block element atom 19651
                      carbon group element atom 19570
                        carbon atom 19560
                          organic molecular entity 19560
                            organic molecule 19493
                              organic cyclic compound 19322
                                carbocyclic compound 18288
                                  benzenoid aromatic compound 17399
                                    benzenes 17171
                                      chlorobenzenes 13584
                                        monochlorobenzenes 9733
                                          canertinib 12
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