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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 2:149,440,807...149,482,592
Ensembl chr 2:149,441,598...149,444,548
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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 9:17,784,468...17,799,008
Ensembl chr 9:17,784,468...17,799,005
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19773
    role 19723
      application 19413
        pharmaceutical 19301
          drug 19301
            hematologic agent 4389
              platelet aggregation inhibitor 3362
                ticagrelor 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19771
      composite particle 19771
        hadron 19771
          baryon 19771
            nucleon 19771
              atomic nucleus 19771
                atom 19771
                  main group element atom 19665
                    main group molecular entity 19665
                      s-block molecular entity 19430
                        hydrogen molecular entity 19424
                          hydrides 18758
                            inorganic hydride 17457
                              pnictogen hydride 17432
                                nitrogen hydride 17277
                                  azane 17009
                                    ammonia 17008
                                      organic amino compound 17007
                                        secondary amino compound 6549
                                          ticagrelor 2
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