CHEBI:63450 - masitinib

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ChEBI Name masitinib ChEBI ID CHEBI:63450 Definition A member of the class of benzamides that is the carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary amino group of 4-methyl-N3-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine. It is a highly selective oral tyrosine kinase inhibitor. Stars This entity has been manually annotated by the ChEBI Team. Submitter Bijay Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H30N6OS Net Charge 0 Average Mass 498.64200 Monoisotopic Mass 498.22018 InChI InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32) InChIKey WJEOLQLKVOPQFV-UHFFFAOYSA-N SMILES CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nc(cs2)-c2cccnc2)c1 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. antirheumatic drug A drug used to treat rheumatoid arthritis. View more via ChEBI Ontology ChEBI Ontology Outgoing masitinib (CHEBI:63450) has role antineoplastic agent (CHEBI:35610) masitinib (CHEBI:63450) has role antirheumatic drug (CHEBI:35842) masitinib (CHEBI:63450) has role tyrosine kinase inhibitor (CHEBI:38637) masitinib (CHEBI:63450) is a 1,3-thiazoles (CHEBI:38418) masitinib (CHEBI:63450) is a N-alkylpiperazine (CHEBI:46845) masitinib (CHEBI:63450) is a benzamides (CHEBI:22702) masitinib (CHEBI:63450) is a pyridines (CHEBI:26421) IUPAC Name 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)benzamide INN Source masitinib ChemIDplus Synonyms Sources AB 1010 ChemIDplus AB-1010 ChemIDplus AB1010 ChemIDplus Manual Xrefs Databases 4791 DrugCentral LSM-1130 LINCS View more database links Registry Numbers Types Sources 12083382 Reaxys Registry Number Reaxys 790299-79-5 CAS Registry Number ChemIDplus Citations Types Sources 19549290 PubMed citation Europe PMC 19789626 PubMed citation Europe PMC 20033487 PubMed citation Europe PMC 20211560 PubMed citation Europe PMC 21034327 PubMed citation Europe PMC 21333567 PubMed citation Europe PMC 21504563 PubMed citation Europe PMC 21668810 PubMed citation Europe PMC Last Modified 22 February 2017