The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_76003 http://purl.obolibrary.org/obo/CHEBI_76003
Preferred Name	afatinib dimaleate
Synonyms	C24H25ClFN5O3 (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide di[(2Z)-but-2-enedioate] C32H33ClFN5O11 BIBW 2992MA2 Afatinib maleate Gilotrif (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	afatinib dimaleate
label	afatinib dimaleate
DBSynonym	bibw 2992
ATCCode	L01XE13
Definition	A maleate salt obtained by combining afatinib with two molar equivalents of maleic acid. Used for the first-line treatment of patients with metastatic non-small cell lung cancer.
DBSalt	afatinib dimaleate
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2792 http://purl.obolibrary.org/obo/dinto_1173 http://purl.obolibrary.org/obo/dinto_0259
inhibits	http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_2792 http://purl.obolibrary.org/obo/dinto_1173 http://purl.obolibrary.org/obo/dinto_0259 http://purl.obolibrary.org/obo/dinto_1440
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_38637
InChIKey	InChIKey=ULXXDDBFHOBEHA-CWDCEQMOSA-N InChIKey=USNRYVNRPYXCSP-JUGPPOIOSA-N
AHFScode	10:00
Synonym	C24H25ClFN5O3 (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide di[(2Z)-but-2-enedioate] C32H33ClFN5O11 BIBW 2992MA2 Afatinib maleate Gilotrif (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide See more See less
xref	Wikipedia:http://en.wikipedia.org/wiki/Afatinib National Drug Code Directory:0597-0138-30 CASRN:850140-73-7 CiteXplore:23982599 KEGG DRUG:D09733 ChEMBL:1477982 Wikipedia:Afatinib Patent:WO2013052157 DrugBank:DB08916 Reaxys:14383062 Patent:WO2012121764 Drugs.com:http://www.drugs.com/gilotrif.html Patent:US2005085495 See more See less
CASRN	850140-72-6
prefixIRI	obo2:CHEBI_76003
is transported by	http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_1440
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 OC(=O)\\C=C/C(O)=O.OC(=O)\\C=C/C(O)=O.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 InChI=1S/C24H25ClFN5O3.2C4H4O4/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;25-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);21-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0../s1
DBBrand	gilotrif
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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