CHEBI:76003 - afatinib dimaleate

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ChEBI Name afatinib dimaleate ChEBI ID CHEBI:76003 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C32H33ClFN5O11 Net Charge 0 Average Mass 718.08300 Monoisotopic Mass 717.18491 InChI 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;2*5-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0../s1 InChIKey USNRYVNRPYXCSP-JUGPPOIOSA-N SMILES 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 Roles Classification Biological Role(s): tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing afatinib dimaleate (CHEBI:76003) has part afatinib (CHEBI:61390) afatinib dimaleate (CHEBI:76003) has role antineoplastic agent (CHEBI:35610) afatinib dimaleate (CHEBI:76003) has role tyrosine kinase inhibitor (CHEBI:38637) afatinib dimaleate (CHEBI:76003) is a maleate salt (CHEBI:50221) IUPAC Name (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] Synonyms Sources Afatinib maleate KEGG DRUG BIBW 2992MA2 ChemIDplus Brand Name Source Gilotrif ChemIDplus Manual Xrefs Databases Afatinib Wikipedia D09733 KEGG DRUG DB08916 DrugBank US2005085495 Patent WO2012121764 Patent WO2013052157 Patent View more database links Registry Numbers Types Sources 14383062 Reaxys Registry Number Reaxys 850140-73-7 CAS Registry Number ChemIDplus Citation Type Source 23982599 PubMed citation Europe PMC Last Modified 06 November 2013