CHEBI:61390 - afatinib

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ChEBI Name afatinib ChEBI ID CHEBI:61390 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. 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 C24H25ClFN5O3 Net Charge 0 Average Mass 485.93800 Monoisotopic Mass 485.16300 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 SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) 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 (CHEBI:61390) has role antineoplastic agent (CHEBI:35610) afatinib (CHEBI:61390) has role tyrosine kinase inhibitor (CHEBI:38637) afatinib (CHEBI:61390) is a aromatic ether (CHEBI:35618) afatinib (CHEBI:61390) is a enamide (CHEBI:51751) afatinib (CHEBI:61390) is a furans (CHEBI:24129) afatinib (CHEBI:61390) is a monochlorobenzenes (CHEBI:83403) afatinib (CHEBI:61390) is a organofluorine compound (CHEBI:37143) afatinib (CHEBI:61390) is a quinazolines (CHEBI:38530) afatinib (CHEBI:61390) is a secondary carboxamide (CHEBI:140325) afatinib (CHEBI:61390) is a tertiary amino compound (CHEBI:50996) Incoming afatinib dimaleate (CHEBI:76003) has part afatinib (CHEBI:61390) IUPAC Name (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide INNs Sources afatinib WHO MedNet afatinib WHO MedNet afatinib KEGG DRUG afatinibum WHO MedNet Synonym Source BIBW 2992 ChEBI Manual Xrefs Databases 0WM PDBeChem 4318 DrugCentral Afatinib Wikipedia D09724 KEGG DRUG DB08916 DrugBank View more database links Registry Numbers Types Sources 11746023 Reaxys Registry Number Reaxys 850140-72-6 CAS Registry Number ChemIDplus Citations Types Sources 21732753 PubMed citation Europe PMC 21737652 PubMed citation Europe PMC 22006669 PubMed citation Europe PMC 22071596 PubMed citation Europe PMC 22200729 PubMed citation Europe PMC 22257651 PubMed citation Europe PMC 22325357 PubMed citation Europe PMC 22418700 PubMed citation Europe PMC 22763464 PubMed citation Europe PMC 22888144 PubMed citation Europe PMC 23161334 PubMed citation Europe PMC 23161335 PubMed citation Europe PMC 23293114 PubMed citation Europe PMC 23443806 PubMed citation Europe PMC 23506519 PubMed citation Europe PMC 23578997 PubMed citation Europe PMC 23664448 PubMed citation Europe PMC 23813493 PubMed citation Europe PMC 23816960 PubMed citation Europe PMC 23816967 PubMed citation Europe PMC 23982599 PubMed citation Europe PMC 24019332 PubMed citation Europe PMC 24085260 PubMed citation Europe PMC Last Modified 07 March 2018