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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:29999920;   PMID:30126856;   PMID:30151614;   PMID:30153097;   PMID:30189719;   PMID:30194172;   PMID:30224350;   PMID:30358214;   PMID:30916819;   PMID:31446643;   PMID:33896242;   PMID:34303194;   PMID:34734065;   PMID:35015529;   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
decreases phosphorylation
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
osimertinib decreases phosphorylation of AKT1 protein in lung
CTD
RGD
PMID:30145802 PMID:30623574 PMID:30993382 PMID:32276600 RGD:151357000 NCBI chr 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921
JBrowse link
G Casp3 caspase 3 multiple interactions
increases expression
ISO [ginsenoside Rg3 co-treated with osimertinib] results in increased cleavage of CASP3 protein; 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 PMID:31916386 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
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 3:89,842,393...89,874,577
Ensembl chr 3:89,842,399...89,874,478
JBrowse link
G Cftr CF transmembrane conductance regulator multiple interactions ISO osimertinib inhibits the reaction [Dronabinol results in decreased expression of and results in decreased activity of CFTR protein] CTD PMID:29928919 NCBI chr 4:46,561,269...46,728,759
Ensembl chr 4:46,560,885...46,728,756
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 2:218,219,408...218,302,370
Ensembl chr 2:218,219,415...218,302,064
JBrowse link
G Egfr epidermal growth factor receptor multiple interactions
decreases activity
decreases phosphorylation
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
osimertinib decreases phosphorylation of EGFR protein in lung
CTD
RGD
PMID:28237877 PMID:30145802 PMID:30623574 PMID:30993382 PMID:32276600 RGD:151357000 NCBI chr14:91,176,931...91,349,722
Ensembl chr14:91,177,067...91,344,382
JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO osimertinib results in increased secretion of GPT protein CTD PMID:29655783 NCBI chr 7:108,416,646...108,419,495
Ensembl chr 7:108,416,642...108,419,494
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 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178
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 inhibits the reaction [Dronabinol results in increased phosphorylation of MAPK1 protein]; osimertinib results in decreased expression of and results in increased phosphorylation of MAPK1 protein CTD PMID:29928919 PMID:30623574 PMID:30993382 NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616
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 inhibits the reaction [Dronabinol results in increased phosphorylation of MAPK3 protein]; osimertinib results in decreased expression of and results in increased phosphorylation of MAPK3 protein CTD PMID:29928919 PMID:30623574 PMID:30993382 NCBI chr 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
JBrowse link
G Mcl1 MCL1 apoptosis regulator, BCL2 family member decreases expression ISO osimertinib decreases expression of MCL1 protein in lung RGD PMID:31301315 PMID:32276600 RGD:151356917, RGD:151357000 NCBI chr 2:183,219,137...183,235,676
Ensembl chr 2:183,219,220...183,222,303
JBrowse link
G Mki67 marker of proliferation Ki-67 multiple interactions ISO [ginsenoside Rg3 co-treated with osimertinib] results in decreased expression of MKI67 protein CTD PMID:31916386 NCBI chr 1:190,496,319...190,522,983
Ensembl chr 1:190,496,319...190,522,762
JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases expression
multiple interactions
increases cleavage
ISO osimertinib results in increased expression of PARP1 protein modified form
[ginsenoside Rg3 co-treated with 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 PMID:31916386 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404
JBrowse link
G Sqstm1 sequestosome 1 decreases expression ISO osimertinib results in decreased expression of SQSTM1 protein CTD PMID:30145802 NCBI chr10:34,525,517...34,536,685
Ensembl chr10:34,525,519...34,536,673
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 chr10:85,811,206...85,863,057
Ensembl chr10:85,811,218...85,863,057
JBrowse link
G Twist1 twist family bHLH transcription factor 1 decreases response to substance
affects response to substance
multiple interactions
ISO TWIST1 protein results in decreased susceptibility to osimertinib
TWIST1 protein affects the 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]
CTD PMID:30171258 PMID:30993382 NCBI chr 6:50,674,910...50,676,904
Ensembl chr 6:50,674,678...50,677,653
JBrowse link
G Ugt1a1 UDP glucuronosyltransferase family 1 member A1 multiple interactions
decreases activity
ISO osimertinib inhibits the reaction [UGT1A1 protein results in increased glucuronidation of Hymecromone]
osimertinib results in decreased activity of UGT1A1 protein
CTD PMID:34044055 NCBI chr 9:88,801,344...88,808,465
Ensembl chr 9:88,713,184...88,808,465
JBrowse link
G Ugt1a2 UDP glucuronosyltransferase 1 family, polypeptide A2 decreases activity ISO osimertinib results in decreased activity of UGT1A3 protein CTD PMID:34044055 NCBI chr 9:88,791,216...88,808,465
Ensembl chr 9:88,713,184...88,808,465
JBrowse link
G Ugt1a6 UDP glucuronosyltransferase family 1 member A6 decreases activity ISO osimertinib results in decreased activity of UGT1A6 protein CTD PMID:34044055 NCBI chr 9:88,747,229...88,808,465
Ensembl chr 9:88,713,184...88,808,465
JBrowse link
G Ugt2b7 UDP glucuronosyltransferase family 2 member B7 decreases activity ISO osimertinib results in decreased activity of UGT2B7 protein CTD PMID:34044055 NCBI chr14:20,896,682...20,919,604
Ensembl chr14:20,896,682...20,919,604
JBrowse link

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  CHEBI ontology 20072
    role 20026
      application 19773
        pharmaceutical 19647
          drug 19647
            antineoplastic agent 17672
              osimertinib 20
Path 2
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  CHEBI ontology 20072
    subatomic particle 20071
      composite particle 20071
        hadron 20071
          baryon 20071
            nucleon 20071
              atomic nucleus 20071
                atom 20071
                  main group element atom 19974
                    p-block element atom 19974
                      carbon group element atom 19903
                        carbon atom 19896
                          organic molecular entity 19896
                            organic group 18994
                              organic divalent group 18980
                                organodiyl group 18980
                                  carbonyl group 18933
                                    carbonyl compound 18933
                                      carboxylic acid 18629
                                        carboacyl group 17761
                                          univalent carboacyl group 17761
                                            carbamoyl group 17602
                                              carboxamide 17602
                                                alpha,beta-unsaturated carboxylic acid amide 6810
                                                  enamide 6810
                                                    acrylamides 6001
                                                      osimertinib 20
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