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
Formula C28H30N6OS
Net Charge 0
Average Mass 498.64200
Monoisotopic Mass 498.220
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 Waiting for 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
Submitter Remark
2011-12-20 10:49:03.0 Bijay PubChem:85150900