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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 19812
    role 19763
      application 19477
        pharmaceutical 19327
          drug 19327
            cardiovascular drug 7685
              vorapaxar 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19710
                    p-block element atom 19710
                      carbon group element atom 19631
                        carbon atom 19621
                          organic molecular entity 19621
                            organic group 18730
                              organic divalent group 18721
                                organodiyl group 18721
                                  carbonyl group 18670
                                    carbonyl compound 18670
                                      carboxylic ester 15899
                                        carbamate ester 7446
                                          vorapaxar 0
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