loading...| Preferred Name |
gefitinib |
|
| Synonyms |
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline gefitinibum N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine Iressa Irressat ZD 1839 ZD-1839 ZD1839 gefitinib |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_49668 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:1282 PMID:30068310 PMID:20949670 PMID:20573926 PMID:27396387 PMID:30069771 CAS:184475-35-2 PDBeChem:IRE PMID:29493460 Wikipedia:Gefitinib Reaxys:8949523 DrugBank:DB00317 PMID:30214852 PMID:28968167 LINCS:LSM-1098 PMID:14981586 HMDB:HMDB0014462 PMID:15068398 KEGG:D01977 PMID:29668619 PMID:29579334 PMID:29332330 |
|
| 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. |
|
| formula |
C22H24ClFN4O3 |
|
| has_alternative_id |
CHEBI:49667 CHEBI:38917 |
|
| has_exact_synonym |
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline gefitinibum N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinamine Iressa Irressat ZD 1839 ZD-1839 ZD1839 gefitinib |
|
| id |
CHEBI:49668 |
|
| in_subset | ||
| 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 |
|
| label |
gefitinib |
|
| mass |
446.910 |
|
| monoisotopicmass |
446.15210 |
|
| notation |
CHEBI:49668 |
|
| prefLabel |
gefitinib |
|
| RO_0000087 | ||
| smiles |
C1=C(C(=CC=2C1=NC=NC2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4)OC |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_38530 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_83403 http://purl.obolibrary.org/obo/CHEBI_38785 |