ONTOLOGY REPORT - ANNOTATIONS
Term: osimertinib
Accession: CHEBI:90943
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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 "ChemIDplus"; DrugBank:DB09330; Drug_Central:5062 "DrugCentral"; LINCS:LSM-6344
xref_mesh: MESH:C000603933
xref: PMID:26450446 "Europe PMC"; PMID:26515464 "Europe PMC"; PMID:26620497 "Europe PMC"; PMID:26720284 "Europe PMC"; PMID:26720671 "Europe PMC"; PMID:26729184 "Europe PMC"; PMID:29151359 "Europe PMC"; PMID:29782558 "Europe PMC"; PMID:29852038 "Europe PMC"; PMID:30126856 "Europe PMC"; PMID:30151614 "Europe PMC"; PMID:30153097 "Europe PMC"; PMID:30189719 "Europe PMC"; PMID:30194172 "Europe PMC"; PMID:30224350 "Europe PMC"; Reaxys:23334373 "Reaxys"; Wikipedia:Osimertinib
cyclic_relationship: is_conjugate_base_of CHEBI:90949
G
Akt1
AKT serine/threonine kinase 1
6
137,218,398
137,239,970
RGD:6480464
G
Casp3
caspase 3
16
48,845,011
48,863,249
RGD:6480464
G
Cat
catalase
3
93,379,872
93,412,058
RGD:6480464
G
Egf
epidermal growth factor
2
68,820,616
68,895,537
RGD:6480464
G
Egfr
epidermal growth factor receptor
14
99,919,485
100,104,136
RGD:6480464
G
Gpt
glutamic--pyruvic transaminase
7
117,759,083
117,761,932
RGD:6480464
G
Il6
interleukin 6
4
3,043,231
3,047,807
RGD:6480464
G
Mapk1
mitogen activated protein kinase 1
11
88,203,863
88,273,301
RGD:6480464
G
Mapk3
mitogen activated protein kinase 3
1
198,192,773
198,198,975
RGD:6480464
G
Parp1
poly (ADP-ribose) polymerase 1
13
98,857,255
98,889,444
RGD:6480464
G
Stat3
signal transducer and activator of transcription 3
10
88,790,401
88,842,263
RGD:6480464
G
Twist1
twist family bHLH transcription factor 1
6
53,401,241
53,403,235
RGD:6480464
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