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CHEBI:90943 - osimertinib

ChEBI IDCHEBI:90943
ChEBI Nameosimertinib
Stars
DefinitionA 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.
Last Modified11 September 2025
SubmitterSteve
DownloadsMolfile
FormulaC28H33N7O2
Net Charge0
Average Mass499.619
Monoisotopic Mass499.26957
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=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)
InChIKeyDUYJMQONPNNFPI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
epidermal growth factor receptor antagonist  An antagonist at the epidermal growth factor receptor.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
osimertinib (CHEBI:90943) has role antineoplastic agent (CHEBI:35610)
osimertinib (CHEBI:90943) has role epidermal growth factor receptor antagonist (CHEBI:74440)
osimertinib (CHEBI:90943) is a acrylamides (CHEBI:22216)
osimertinib (CHEBI:90943) is a aminopyrimidine (CHEBI:38338)
osimertinib (CHEBI:90943) is a biaryl (CHEBI:64459)
osimertinib (CHEBI:90943) is a indoles (CHEBI:24828)
osimertinib (CHEBI:90943) is a monomethoxybenzene (CHEBI:25235)
osimertinib (CHEBI:90943) is a secondary amino compound (CHEBI:50995)
osimertinib (CHEBI:90943) is a secondary carboxamide (CHEBI:140325)
osimertinib (CHEBI:90943) is a substituted aniline (CHEBI:48975)
osimertinib (CHEBI:90943) is a tertiary amino compound (CHEBI:50996)
osimertinib (CHEBI:90943) is conjugate base of osimertinib(1+) (CHEBI:90949)
Incoming Relation(s)
osimertinib(1+) (CHEBI:90949) is conjugate acid of osimertinib (CHEBI:90943)
IUPAC Name 
N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)acrylamide
INNs  Source
osimertinibWHO MedNet
osimertinibumWHO MedNet
osimertinibWHO MedNet
osimertinibWHO MedNet
Synonyms  Source
AZD 9291DrugCentral
AZD9291DrugCentral
AZD-9291DrugCentral
mereletinibDrugCentral
N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamideDrugBank
Manual XrefsDatabases
OsimertinibWikipedia
LSM-6344LINCS
5062DrugCentral
DB09330DrugBank
HMDB0248778HMDB
WO2019138346Patent
Registry NumbersSources
Reaxys:23334373Reaxys
CAS:1421373-65-0ChemIDplus
Citations