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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 6:128,388,084...128,453,234
Ensembl chr 6:128,388,053...128,434,183
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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 4:77,284,404...77,347,011
Ensembl chr 4:77,284,404...77,347,011
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      biological role 19716
        biochemical role 19304
          apoptosis inducer 11024
            GSK343 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        carboacyl group 17416
                                          univalent carboacyl group 17416
                                            carbamoyl group 17213
                                              carboxamide 17213
                                                secondary carboxamide 303
                                                  GSK343 2
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