CHEBI:114785 - erlotinib

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ChEBI Name erlotinib
Definition A quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40877
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Formula C22H23N3O4
Net Charge 0
Average Mass 393.43570
Monoisotopic Mass 393.16886
InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
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): protein kinase inhibitor
An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
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.
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ChEBI Ontology
Outgoing erlotinib (CHEBI:114785) has role antineoplastic agent (CHEBI:35610)
erlotinib (CHEBI:114785) has role epidermal growth factor receptor antagonist (CHEBI:74440)
erlotinib (CHEBI:114785) has role protein kinase inhibitor (CHEBI:37699)
erlotinib (CHEBI:114785) is a aromatic ether (CHEBI:35618)
erlotinib (CHEBI:114785) is a quinazolines (CHEBI:38530)
erlotinib (CHEBI:114785) is a secondary amino compound (CHEBI:50995)
erlotinib (CHEBI:114785) is a terminal acetylenic compound (CHEBI:73477)
Incoming erlotinib hydrochloride (CHEBI:53509) has part erlotinib (CHEBI:114785)
INNs Sources
erlotinib WHO MedNet
erlotinib WHO MedNet
erlotinibum WHO MedNet
Synonyms Sources
[6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine PDBeChem
[6,7-bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine DrugBank
Manual Xrefs Databases
1045 DrugCentral
AQ4 PDBeChem
DB00530 DrugBank
Erlotinib Wikipedia
HMDB0014671 HMDB
US2010094004 Patent
View more database links
Registry Numbers Types Sources
183321-74-6 CAS Registry Number ChemIDplus
183321-74-6 CAS Registry Number DrugBank
183321-74-6 CAS Registry Number KEGG DRUG
8798958 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
28 September 2018