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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:osimertinib
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Accession:CHEBI:90943 term browser browse the term
Definition:A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer.
Synonyms:exact_synonym: N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)acrylamide
 related_synonym: AZD-9291;   AZD9291;   Formula=C28H33N7O2;   InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);   InChIKey=DUYJMQONPNNFPI-UHFFFAOYSA-N;   N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide;   SMILES=CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2;   mereletinib;   osimertinibum
 xref: CAS:1421373-65-0;   DrugBank:DB09330;   Drug_Central:5062;   LINCS:LSM-6344
 xref_mesh: MESH:C000603933
 xref: PMID:26450446;   PMID:26515464;   PMID:26620497;   PMID:26720284;   PMID:26720671;   PMID:26729184;   PMID:29151359;   PMID:29782558;   PMID:29852038;   PMID:30126856;   PMID:30151614;   PMID:30153097;   PMID:30189719;   PMID:30194172;   PMID:30224350;   Reaxys:23334373;   Wikipedia:Osimertinib
 cyclic_relationship: is_conjugate_base_of CHEBI:90949

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osimertinib 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 osimertinib affects the reaction [EGF protein results in increased phosphorylation of AKT1 protein]; osimertinib inhibits the reaction [Derp2 allergen, Dermatophagoides pteronyssinus results in increased phosphorylation of AKT1 protein]; osimertinib results in decreased expression of and results in decreased phosphorylation of AKT1 protein CTD PMID:30145802, PMID:30623574, PMID:30993382 NCBI chr 6:137,218,398...137,239,970
Ensembl chr 6:137,218,376...137,236,258 		JBrowse link
G Casp3 caspase 3 multiple interactions
increases expression		 ISO Acetylcysteine inhibits the reaction [osimertinib results in increased expression of CASP3 protein modified form]; CAT protein inhibits the reaction [osimertinib results in increased expression of CASP3 protein modified form]; Vitamin E inhibits the reaction [osimertinib results in increased expression of CASP3 protein modified form] CTD PMID:28237877 NCBI chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204 		JBrowse link
G Cat catalase multiple interactions
decreases response to substance		 ISO CAT protein inhibits the reaction [osimertinib results in increased abundance of Hydrogen Peroxide]; CAT protein inhibits the reaction [osimertinib results in increased expression of CASP3 protein modified form]; CAT protein inhibits the reaction [osimertinib results in increased expression of PARP1 protein modified form]
CAT protein results in decreased susceptibility to osimertinib		 CTD PMID:28237877 NCBI chr 3:93,379,872...93,412,058
Ensembl chr 3:93,379,874...93,412,058 		JBrowse link
G Egf epidermal growth factor multiple interactions ISO osimertinib affects the reaction [EGF protein results in increased phosphorylation of AKT1 protein]; osimertinib affects the reaction [EGF protein results in increased phosphorylation of EGFR protein]; osimertinib affects the reaction [EGF protein results in increased phosphorylation of MAPK1 protein]; osimertinib affects the reaction [EGF protein results in increased phosphorylation of MAPK3 protein]; osimertinib affects the reaction [EGF protein results in increased phosphorylation of STAT3 protein] CTD PMID:30623574 NCBI chr 2:68,820,616...68,895,537 JBrowse link
G Egfr epidermal growth factor receptor multiple interactions
decreases activity		 ISO osimertinib affects the reaction [EGF protein results in increased phosphorylation of EGFR protein]; osimertinib inhibits the reaction [EGFR protein mutant form results in decreased susceptibility to Gefitinib]; osimertinib promotes the reaction [Derp2 allergen, Dermatophagoides pteronyssinus results in increased phosphorylation of EGFR protein]; osimertinib results in decreased expression of and results in decreased phosphorylation of EGFR protein
osimertinib results in decreased activity of EGFR protein		 CTD PMID:28237877, PMID:30145802, PMID:30623574, PMID:30993382 NCBI chr14:99,919,485...100,104,136
Ensembl chr14:99,919,485...100,098,796 		JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO osimertinib results in increased secretion of GPT protein CTD PMID:29655783 NCBI chr 7:117,759,083...117,761,932
Ensembl chr 7:117,759,083...117,761,931 		JBrowse link
G Il6 interleukin 6 multiple interactions ISO osimertinib inhibits the reaction [Derp2 allergen, Dermatophagoides pteronyssinus results in increased expression of IL6 mRNA]; osimertinib inhibits the reaction [Derp2 allergen, Dermatophagoides pteronyssinus results in increased secretion of IL6 protein] CTD PMID:30623574 NCBI chr 4:3,043,231...3,047,807
Ensembl chr 4:3,043,231...3,047,807 		JBrowse link
G Mapk1 mitogen activated protein kinase 1 multiple interactions ISO osimertinib affects the reaction [EGF protein results in increased phosphorylation of MAPK1 protein]; osimertinib results in decreased expression of and results in increased phosphorylation of MAPK1 protein CTD PMID:30623574, PMID:30993382 NCBI chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254 		JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions ISO osimertinib affects the reaction [EGF protein results in increased phosphorylation of MAPK3 protein]; osimertinib results in decreased expression of and results in increased phosphorylation of MAPK3 protein CTD PMID:30623574, PMID:30993382 NCBI chr 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975 		JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases expression
increases cleavage
multiple interactions		 ISO osimertinib results in increased expression of PARP1 protein modified form
osimertinib results in increased cleavage of PARP1 protein
[TWIST1 protein results in decreased susceptibility to osimertinib] which results in decreased cleavage of PARP1 protein; Acetylcysteine inhibits the reaction [osimertinib results in increased expression of PARP1 protein modified form]; CAT protein inhibits the reaction [osimertinib results in increased expression of PARP1 protein modified form]; TWIST1 protein inhibits the reaction [osimertinib results in increased cleavage of PARP1 protein]; Vitamin E inhibits the reaction [osimertinib results in increased expression of PARP1 protein modified form]		 CTD PMID:28237877, PMID:30171258 NCBI chr13:98,857,255...98,889,444
Ensembl chr13:98,857,177...98,889,716 		JBrowse link
G Sqstm1 sequestosome 1 decreases expression ISO osimertinib results in decreased expression of SQSTM1 protein CTD PMID:30145802 NCBI chr10:35,704,728...35,716,316
Ensembl chr10:35,704,730...35,716,294 		JBrowse link
G Stat3 signal transducer and activator of transcription 3 multiple interactions ISO osimertinib affects the reaction [EGF protein results in increased phosphorylation of STAT3 protein]; osimertinib inhibits the reaction [Derp2 allergen, Dermatophagoides pteronyssinus results in increased phosphorylation of STAT3 protein] CTD PMID:30623574 NCBI chr10:88,790,401...88,842,263
Ensembl chr10:88,790,408...88,842,233 		JBrowse link
G Twist1 twist family bHLH transcription factor 1 decreases response to substance
multiple interactions
affects response to substance		 ISO TWIST1 protein results in decreased susceptibility to osimertinib
[TWIST1 protein results in decreased susceptibility to osimertinib] which results in decreased cleavage of PARP1 protein; TWIST1 protein inhibits the reaction [osimertinib results in increased cleavage of PARP1 protein]
TWIST1 protein affects the susceptibility to osimertinib		 CTD PMID:30171258, PMID:30993382 NCBI chr 6:53,401,241...53,403,235
Ensembl chr 6:53,401,109...53,403,214 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      application 19420
        pharmaceutical 19293
          drug 19293
            antineoplastic agent 17004
              osimertinib 13
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      carboxylic acid 18108
                                        carboacyl group 17369
                                          univalent carboacyl group 17369
                                            carbamoyl group 17156
                                              carboxamide 17156
                                                alpha,beta-unsaturated carboxylic acid amide 4769
                                                  enamide 4769
                                                    acrylamides 3821
                                                      osimertinib 13
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