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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:grazoprevir
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Accession:CHEBI:132975 term browser browse the term
Definition:An azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.
Synonyms:exact_synonym: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
 related_synonym: Formula=C38H50N6O9S;   InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1;   InChIKey=OBMNJSNZOWALQB-NCQNOWPTSA-N;   MK 5172;   SMILES=[C@@]1(C(NS(C2CC2)(=O)=O)=O)(C[C@H]1C=C)NC(=O)[C@H]3N4C[C@@H](C3)OC5=C(CCCCC[C@H]6[C@@H](C6)OC(N[C@H](C4=O)C(C)(C)C)=O)N=C7C(=N5)C=C(C=C7)OC
 xref: CAS:1350514-68-9;   Drug_Central:5081;   PMCID:PMC4135988;   PMID:24666106;   PMID:24727022;   PMID:25266288;   PMID:25467560;   PMID:25467591;   PMID:26353843;   PMID:26423374;   PMID:26532861;   PMID:26682473;   PMID:26818134;   PMID:26849059;   PMID:26926625;   PMID:26933896;   PMID:26938699;   PMID:26943930;   PMID:27091555;   PMID:27123552;   PMID:27291249;   PMID:27403342;   PMID:27418810;   Reaxys:19999739;   Wikipedia:Grazoprevir


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22307
    role 22292
      biological role 22291
        antimicrobial agent 19678
          antiviral agent 11688
            antiviral drug 1994
              grazoprevir 0
                Zepatier 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22307
    subatomic particle 22302
      composite particle 22302
        hadron 22302
          baryon 22302
            nucleon 22302
              atomic nucleus 22302
                atom 22302
                  main group element atom 22182
                    p-block element atom 22182
                      carbon group element atom 21984
                        carbon atom 21924
                          organic molecular entity 21924
                            heteroorganic entity 21565
                              organochalcogen compound 21051
                                organooxygen compound 20899
                                  carbon oxoacid 19649
                                    carboxylic acid 19645
                                      carboacyl group 18314
                                        univalent carboacyl group 18314
                                          carbamoyl group 18135
                                            carboxamide 18135
                                              lactam 8471
                                                grazoprevir 0
                                                  Zepatier 0
paths to the root