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M  END
> <ID>
CHEBI:49668

> <NAME>
gefitinib

> <DEFINITION>
A member of the class of quinazolines that is quinazoline which is substituted by a (3-chloro-4-fluorophenyl)nitrilo group, 3-(morpholin-4-yl)propoxy group and a methoxy group at positions 4,6 and 7, respectively. An EGFR kinase inhibitor used for the treatment of non-small cell lung cancer.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:38917; CHEBI:49667

> <SYNONYM>
ZD1839; ZD-1839; ZD 1839; N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine; 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline

> <IUPAC_NAME>
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

> <INN>
gefitinibum; gefitinib; gefitinib; gefitinib

> <BRAND_NAME>
Irressat; Iressa

> <FORMULA>
C22H24ClFN4O3

> <MASS>
446.910

> <MONOISOTOPIC_MASS>
446.15210

> <CHARGE>
0

> <SMILES>
C1=C(C(=CC=2C1=NC=NC2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4)OC

> <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

> <CAS_REGISTRY_NUMBER>
184475-35-2

> <REAXYS_REGISTRY_NUMBER>
8949523

> <CHEMIDPLUS>
184475-35-2

> <DRUGBANK_ACCESSION>
DB00317

> <KEGG_DRUG_ACCESSION>
D01977

> <LINCS_ACCESSION>
LSM-1098

> <PDBECHEM_ACCESSION>
IRE

> <WIKIPEDIA_ACCESSION>
Gefitinib

> <PUBMED_CITATION>
14981586; 15068398; 20573926; 20949670; 27396387; 28968167; 29332330; 29493460; 29579334; 29668619; 30068310; 30069771; 30214852

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