loading...| Preferred Name |
afatinib |
|
| Synonyms |
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide afatinibum BIBW 2992 afatinib |
|
| Definitions |
A quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an (S)-tetrahydrofuran-3-yloxy group at the 7-position. Used (as its dimaleate salt) for the first-line treatment of patients with metastatic non-small cell lung cancer. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_61390 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:11746023 PMID:22418700 PMID:22888144 PMID:23161334 CAS:850140-72-6 PMID:22763464 PMID:23982599 PMID:23161335 PMID:23443806 Wikipedia:Afatinib PMID:23813493 PMID:22325357 Drug_Central:4318 PMID:23578997 KEGG:D09724 PMID:22071596 DrugBank:DB08916 PDBeChem:0WM PMID:21732753 PMID:23293114 PMID:23506519 PMID:23816967 PMID:23664448 PMID:22200729 PMID:21737652 PMID:24019332 PMID:23816960 PMID:22257651 PMID:24085260 PMID:22006669 |
|
| definition |
A quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an (S)-tetrahydrofuran-3-yloxy group at the 7-position. Used (as its dimaleate salt) for the first-line treatment of patients with metastatic non-small cell lung cancer. |
|
| formula |
C24H25ClFN5O3 |
|
| has role | ||
| has_exact_synonym |
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
afatinibum BIBW 2992 afatinib |
|
| id |
CHEBI:61390 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 |
|
| inchikey |
ULXXDDBFHOBEHA-CWDCEQMOSA-N |
|
| label |
afatinib |
|
| mass |
485.93800 |
|
| monoisotopicmass |
485.16300 |
|
| notation |
CHEBI:61390 |
|
| prefLabel |
afatinib |
|
| smiles |
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_24129 http://purl.obolibrary.org/obo/CHEBI_51751 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_38530 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_83403 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_24129 http://purl.obolibrary.org/obo/CHEBI_51751 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_38530 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_83403 |