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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:vorapaxar
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Accession:CHEBI:82702 term browser browse the term
Definition:A carbamate ester that is the ethyl ester of [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethynyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamic acid. A protease-activated receptor-1 antagonist used (as its sulfate salt) for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or with peripheral arterial disease. It has been shown to reduce the rate of a combined endpoint of cardiovascular death, MI, stroke and urgent coronary revascularisation.
Synonyms:exact_synonym: ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate
 related_synonym: Formula=C29H33FN2O4;   InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1;   InChIKey=ZBGXUVOIWDMMJE-QHNZEKIYSA-N;   SMILES=CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\\C=C\\c2ccc(cn2)-c2cccc(F)c2)C1
 xref: CAS:618385-01-6;   Drug_Central:4870;   KEGG:D09765;   PDBeChem:VPX;   PMID:23396280;   PMID:23426761;   PMID:23501976;   PMID:23530022;   PMID:24211500;   PMID:24402559;   PMID:24444781;   PMID:24627331;   PMID:24676931;   PMID:24729713;   PMID:24750101;   PMID:24962425;   PMID:25012288;   PMID:25129064;   PMID:25138682;   PMID:25262270;   Reaxys:12646121;   Wikipedia:Vorapaxar
 cyclic_relationship: is_conjugate_base_of CHEBI:83315


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  CHEBI ontology 5052
    role 5044
      application 863
        pharmaceutical 723
          drug 713
            cardiovascular drug 96
              vorapaxar 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbon oxoacid 368
                                    carbamic acid 220
                                      carbamate ester 16
                                        vorapaxar 0
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