CHEBI:90943 - osimertinib

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ChEBI Name osimertinib
ChEBI ID CHEBI:90943
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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H33N7O2
Net Charge 0
Average Mass 499.608
Monoisotopic Mass 499.270
InChI 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
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
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): epidermal growth factor receptor antagonist
An antagonist at the epidermal growth factor receptor.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
osimertinib WHO MedNet
osimertinib WHO MedNet
osimertinib WHO MedNet
osimertinibum WHO MedNet
Synonyms Sources
AZD 9291 DrugCentral
AZD-9291 DrugCentral
AZD9291 DrugCentral
mereletinib DrugCentral
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 DrugBank
Manual Xrefs Databases
5062 DrugCentral
DB09330 DrugBank
LSM-6344 LINCS
Osimertinib Wikipedia
View more database links
Registry Numbers Types Sources
1421373-65-0 CAS Registry Number ChemIDplus
23334373 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
26450446 PubMed citation Europe PMC
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Last Modified
28 September 2018