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CHEBI:233593 - flumatinib

ChEBI IDCHEBI:233593
ChEBI Nameflumatinib
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the amino group of 2-methyl-N3-[4-(pyridin-3-yl)pyrimidin-2-yl]pyridine-3,5-diamine. It is an inhibitor of the non-receptor tyrosine kinase Bcr-Abl (IC50 = 1.2 nM) and has been approved in China for the treatment of chronic myeloid leukaemia.
Last Modified3 March 2025
SubmitterAdnan
DownloadsMolfile
FormulaC29H29F3N8O
Net Charge0
Average Mass562.600
Monoisotopic Mass562.24164
SMILESCc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)
InChIKeyBJCJYEYYYGBROF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
flumatinib (CHEBI:233593) has role antineoplastic agent (CHEBI:35610)
flumatinib (CHEBI:233593) has role apoptosis inducer (CHEBI:68495)
flumatinib (CHEBI:233593) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
flumatinib (CHEBI:233593) is a (trifluoromethyl)benzenes (CHEBI:83565)
flumatinib (CHEBI:233593) is a N-methylpiperazine (CHEBI:46920)
flumatinib (CHEBI:233593) is a aminopyridine (CHEBI:38207)
flumatinib (CHEBI:233593) is a aminopyrimidine (CHEBI:38338)
flumatinib (CHEBI:233593) is a benzamides (CHEBI:22702)
flumatinib (CHEBI:233593) is a secondary amino compound (CHEBI:50995)
flumatinib (CHEBI:233593) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
4-[(4-methylpiperazin-1-yl)methyl]-N-(6-methyl-5-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}pyridin-3-yl)-3-(trifluoromethyl)benzamide
INNs  Source
flumbatinibWHO MedNet
flumbatinibWHO MedNet
flumbatinibWHO MedNet
flumbatinibumWHO MedNet
Synonyms  Source
HHGV678ChEBI
HH-GV678DrugBank
HH-GV-678ChEBI
4-[(4-methyl-1-piperazinyl)methyl]-N-[6-methyl-5-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-3-pyridinyl]-3-(trifluoromethyl)-benzamideChEBI
HHGV 678ChEBI
Manual XrefsDatabases
DB11904DrugBank
25069687ChemSpider
Registry NumbersSources
CAS:895519-90-1ChEBI
Citations