CHEBI:124921 - GSK126

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ChEBI Name GSK126
ChEBI ID CHEBI:124921
Definition A member of the class of methylindoles that is 1H-indole substituted by (2S)-butan-2-yl, methyl, N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]acetamide, and 6-(piperazin-1-yl)pyridin-3-yl groups at positions 1, 3, 4, and 6, respectively. It is a potent and highly selective inhibitor of EZH2 methyltransferase (IC50 = 9.9 nM).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H38N6O2
Net Charge 0
Average Mass 526.685
Monoisotopic Mass 526.30562
InChI InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1
InChIKey FKSFKBQGSFSOSM-QFIPXVFZSA-N
SMILES CC[C@H](C)N1C=C(C)C2=C(C=C(C=C12)C1=CN=C(C=C1)N1CCNCC1)C(=O)NCC1=C(C)C=C(C)NC1=O
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): anti-obesity agent
Any substance which is used to reduce or control weight.
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(s): neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
antiatherosclerotic agent
A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing GSK126 (CHEBI:124921) has role angiogenesis inhibitor (CHEBI:48422)
GSK126 (CHEBI:124921) has role anti-obesity agent (CHEBI:74518)
GSK126 (CHEBI:124921) has role antiatherosclerotic agent (CHEBI:145947)
GSK126 (CHEBI:124921) has role antineoplastic agent (CHEBI:35610)
GSK126 (CHEBI:124921) has role EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor (CHEBI:167694)
GSK126 (CHEBI:124921) has role neuroprotective agent (CHEBI:63726)
GSK126 (CHEBI:124921) is a N-arylpiperazine (CHEBI:46848)
GSK126 (CHEBI:124921) is a methylindole (CHEBI:38460)
GSK126 (CHEBI:124921) is a pyridines (CHEBI:26421)
GSK126 (CHEBI:124921) is a pyridone (CHEBI:38183)
GSK126 (CHEBI:124921) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide
Synonyms Sources
(S)-1-(sec-butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide ChEBI
GSK 126 ChEBI
GSK 2816126 ChEBI
GSK 2816126A ChEBI
GSK-126 ChEBI
GSK-2816126 ChEBI
GSK-2816126A ChEBI
GSK2816126 ChEBI
GSK2816126A ChEBI
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Registry Number Type Source
1346574-57-9 CAS Registry Number ChEBI
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Last Modified
08 May 2024