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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:ticagrelor
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Accession:CHEBI:68558 term browser browse the term
Definition:A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome.
Synonyms:exact_synonym: (1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
 related_synonym: (1S,2S,3R,5S)-3-(7-((1R,2S)-2-(3,4-Difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-(1,2,3)triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol;   AZD 6140;   AZD6140;   Brilinta;   Formula=C23H28F2N6O4S;   InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1;   InChIKey=OEKWJQXRCDYSHL-FNOIDJSQSA-N;   SMILES=CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1
 xref: CAS:274693-27-5;   Drug_Central:4184;   HMDB:HMDB0015702;   KEGG:D09017
 xref_mesh: MESH:C503700
 xref: PMID:22991347;   Patent:WO2012085665;   Reaxys:15468079


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ticagrelor term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G P2ry12 purinergic receptor P2Y12 multiple interactions ISO Ticagrelor binds to and results in decreased activity of P2RY12 protein CTD PMID:19637098 NCBI chr 2:143,481,468...143,523,340
Ensembl chr 2:143,481,430...143,523,361 		JBrowse link
G Slc29a1 solute carrier family 29 member 1 multiple interactions ISO Ticagrelor inhibits the reaction [4-nitrobenzylthioinosine binds to SLC29A1 protein]; Ticagrelor inhibits the reaction [SLC29A1 protein results in increased uptake of Adenosine] CTD PMID:28041785 NCBI chr 9:15,399,661...15,414,203
Ensembl chr 9:15,399,612...15,414,203 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19844
    role 19820
      application 19663
        pharmaceutical 19504
          drug 19504
            hematologic agent 4954
              platelet aggregation inhibitor 3779
                ticagrelor 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    main group molecular entity 19792
                      s-block molecular entity 19626
                        hydrogen molecular entity 19613
                          hydrides 19115
                            inorganic hydride 18121
                              pnictogen hydride 18110
                                nitrogen hydride 18017
                                  azane 17823
                                    ammonia 17797
                                      organic amino compound 17822
                                        secondary amino compound 6837
                                          ticagrelor 2
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