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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:GSK343
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Accession:CHEBI:167693 term browser browse the term
Definition:A 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).
Synonyms:exact_synonym: 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
 related_synonym: Formula=C31H39N7O2;   GSK-343;   InChI=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);   InChIKey=ULNXAWLQFZMIHX-UHFFFAOYSA-N;   SMILES=CCCC1=C(CNC(=O)C2=CC(=CC3=C2C=NN3C(C)C)C2=CC=NC(=C2)N2CCN(C)CC2)C(=O)NC(C)=C1
 xref: CAS:1346704-33-3
 xref_mesh: MESH:C586265
 xref: PMID:26973856;   PMID:27278257;   PMID:28675010;   PMID:28925507;   PMID:29228694;   PMID:30365505;   PMID:31572509;   PMID:31651209;   PMID:31720078;   PMID:32222493;   Patent:CA2798622



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GSK343 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Dicer1 dicer 1 ribonuclease III increases expression ISO GSK343 results in increased expression of DICER1 mRNA CTD PMID:25351418 NCBI chr 6:123,627,529...123,692,278
Ensembl chr 6:123,631,250...123,693,965
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G Ezh2 enhancer of zeste 2 polycomb repressive complex 2 subunit decreases activity ISO GSK343 results in decreased activity of EZH2 protein CTD PMID:23759589 PMID:24900432 NCBI chr 4:76,624,399...76,687,362
Ensembl chr 4:76,624,399...76,687,362
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  CHEBI ontology 20050
    role 20001
      biological role 20000
        biochemical role 19624
          apoptosis inducer 13408
            GSK343 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic group 18937
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18872
                                    carbonyl compound 18872
                                      carboxylic acid 18556
                                        carboacyl group 17655
                                          univalent carboacyl group 17655
                                            carbamoyl group 17490
                                              carboxamide 17490
                                                secondary carboxamide 545
                                                  GSK343 2
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