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 ChemicalBook:CB62507657, ChemicalBook:CB12470923, Selleckchem:BIBW2992, ZINC000003976838 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Afatinib, sold under the brand name Gilotrif among others, is a medication which is used to treat non-small cell lung carcinoma (NSCLC). It belongs to the tyrosine kinase inhibitor family of medications. It is taken by mouth. It is mainly used to treating cases of NSCLC that harbour mutations in the epidermal growth factor receptor (EGFR) gene. It is on the World Health Organization's List of Essential Medicines. 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 Last Modified 07 March 2018