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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_61390
http://purl.obolibrary.org/obo/CHEBI_61390
|
|---|---|
| Preferred Name | afatinib |
| Synonyms |
BIBW 2992
C24H25ClFN5O3
afatinib
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | afatinib
|
|---|---|
| label | afatinib
|
| DBSynonym | bibw 2992
|
| ATCCode | L01XE13
|
| 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.
|
| DBSalt | afatinib dimaleate
|
| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey | InChIKey=ULXXDDBFHOBEHA-CWDCEQMOSA-N
|
| AHFScode | 10:00
|
| Synonym | BIBW 2992
C24H25ClFN5O3
afatinib
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
|
| xref |
Reaxys:11746023
Wikipedia:http://en.wikipedia.org/wiki/Afatinib
KEGG DRUG:D09724
National Drug Code Directory:0597-0138-30
CiteXplore:23816967
CiteXplore:22888144
CiteXplore:22763464
CiteXplore:24019332
CiteXplore:23982599
CiteXplore:23443806
CiteXplore:23578997
CiteXplore:23161334
CiteXplore:23816960
CiteXplore:22200729
Wikipedia:Afatinib
CiteXplore:22325357
CiteXplore:23293114
CiteXplore:22418700
CASRN:850140-72-6
CiteXplore:23506519
DrugBank:DB08916
PDBeChem:0WM
CiteXplore:23813493
CiteXplore:21732753
CiteXplore:21737652
CiteXplore:23664448
Drugs.com:http://www.drugs.com/gilotrif.html
CiteXplore:23161335
ChEMBL:750126
CiteXplore:24085260
CiteXplore:22071596
CiteXplore:22006669
CiteXplore:22257651
See more
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|
| CASRN | 850140-72-6
|
| prefixIRI | obo2:CHEBI_61390
|
| is transported by | |
| SMILES |
CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1
CN(C)C\\C=C\\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
|
| DBname | afatinib
|
| 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
|
| DBBrand | gilotrif
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |