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CHEBI:124921 - GSK126
| Formula | C31H38N6O2 |
| Net Charge | 0 |
| Average Mass | 526.685 |
| Monoisotopic Mass | 526.30562 |
| SMILES | CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)nc3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | 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). |
| Applications: | angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. 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. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| GSK 126 | ChEBI |
| GSK-126 | ChEBI |
| GSK 2816126 | ChEBI |
| GSK-2816126 | ChEBI |
| GSK2816126 | ChEBI |
| GSK 2816126A | ChEBI |
| Citations |
|---|