CHEBI:49668 - gefitinib

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ChEBI Name gefitinib
ChEBI ID CHEBI:49668
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:38917, CHEBI:49667
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Formula C22H24ClFN4O3
Net Charge 0
Average Mass 446.90222
Monoisotopic Mass 446.152
InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
InChIKey XGALLCVXEZPNRQ-UHFFFAOYSA-N
SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Roles Classification
Biological Role(s): protein kinase inhibitor
An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing gefitinib (CHEBI:49668) has role antineoplastic agent (CHEBI:35610)
gefitinib (CHEBI:49668) has role protein kinase inhibitor (CHEBI:37699)
gefitinib (CHEBI:49668) is a morpholines (CHEBI:38785)
gefitinib (CHEBI:49668) is a quinazolines (CHEBI:38530)
Incoming linkable gefitinib analogue (CHEBI:39084) has functional parent gefitinib (CHEBI:49668)
IUPAC Name
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
Synonyms Sources
4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline ChemIDplus
Gefitinib ChemIDplus
Iressa ChemIDplus
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine ChemIDplus
ZD 1839 ChemIDplus
Database Links Databases
1282 DrugCentral
DB00317 DrugBank
Gefitinib Wikipedia
IRE PDBeChem
LSM-1098 LINCS
View more database links
Registry Number Type Source
184475-35-2 CAS Registry Number ChemIDplus
Last Modified
22 February 2017