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CHEBI:167693 - GSK343

ChEBI IDCHEBI:167693
ChEBI NameGSK343
Stars
DefinitionA member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM).
Last Modified17 March 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC31H39N7O2
Net Charge0
Average Mass541.700
Monoisotopic Mass541.31652
SMILESCCCc1cc(C)nc(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C
InChIInChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)
InChIKeyULNXAWLQFZMIHX-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 2.1.1.43 (enhancer of zeste homolog 2) inhibitor  An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of Enhancer of zeste homolog 2 (EZH2), a histone-lysine N-methyltransferase (EC 2.1.1.43).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
GSK343 (CHEBI:167693) has role antineoplastic agent (CHEBI:35610)
GSK343 (CHEBI:167693) has role apoptosis inducer (CHEBI:68495)
GSK343 (CHEBI:167693) has role EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor (CHEBI:167694)
GSK343 (CHEBI:167693) is a N-alkylpiperazine (CHEBI:46845)
GSK343 (CHEBI:167693) is a N-arylpiperazine (CHEBI:46848)
GSK343 (CHEBI:167693) is a aminopyridine (CHEBI:38207)
GSK343 (CHEBI:167693) is a indazoles (CHEBI:38769)
GSK343 (CHEBI:167693) is a pyridone (CHEBI:38183)
GSK343 (CHEBI:167693) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
1-isopropyl-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1H-indazole-4-carboxamide
Synonyms  Source
GSK-343ChEBI
GSK 343ChEBI
Manual XrefsDatabases
CA2798622Patent
Registry NumbersSources
CAS:1346704-33-3ChEBI
Citations