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ONTOLOGY REPORT - ANNOTATIONS


Term:elbasvir
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Accession:CHEBI:132967 term browser browse the term
Definition:A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.
Synonyms:exact_synonym: methyl {(2S)-1-[(2S)-2-{4-[(6S)-3-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
 related_synonym: Formula=C49H55N9O7;   InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1;   InChIKey=BVAZQCUMNICBAQ-PZHYSIFUSA-N;   MK 8742;   MK8742;   SMILES=C=1C(C2=CN=C(N2)[C@]3(N(CCC3)C([C@H](C(C)C)NC(=O)OC)=O)[H])=CC4=C(C1)N5C(=C4)C=6C=CC(=CC6O[C@H]5C=7C=CC=CC7)C=8NC(=NC8)[C@@]9(CCCN9C(=O)[C@@H](NC(=O)OC)C(C)C)[H]
 xref: CAS:1370468-36-2 "ChemIDplus";   CAS:1370468-36-2 "KEGG DRUG";   Drug_Central:5080 "DrugCentral";   KEGG:D10625;   PMID:24127258 "Europe PMC";   PMID:25467591 "Europe PMC";   PMID:26303801 "Europe PMC";   PMID:26371152 "Europe PMC";   PMID:26456905 "Europe PMC";   PMID:26532861 "Europe PMC";   PMID:26818134 "Europe PMC";   PMID:26849059 "Europe PMC";   PMID:26926625 "Europe PMC";   PMID:26927874 "Europe PMC";   PMID:26933896 "Europe PMC";   PMID:26938699 "Europe PMC";   PMID:26943930 "Europe PMC";   PMID:27091555 "Europe PMC";   PMID:27403342 "Europe PMC";   PMID:27418810 "Europe PMC";   PMID:27440554 "Europe PMC";   Reaxys:22434581 "Reaxys";   Wikipedia:Elbasvir


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19754
    role 19701
      biological role 19700
        inhibitor 18171
          hepatitis C virus nonstructural protein 5A inhibitor 0
            elbasvir 0
              Zepatier 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19754
    subatomic particle 19752
      composite particle 19752
        hadron 19752
          baryon 19752
            nucleon 19752
              atomic nucleus 19752
                atom 19752
                  main group element atom 19637
                    p-block element atom 19637
                      carbon group element atom 19528
                        carbon atom 19517
                          organic molecular entity 19517
                            organic group 18422
                              organic divalent group 18414
                                organodiyl group 18414
                                  carbonyl group 18303
                                    carbonyl compound 18303
                                      carboxylic acid 17971
                                        amino acid 12465
                                          alpha-amino acid 7692
                                            L-alpha-amino acid 7362
                                              pyruvate family amino acid 231
                                                L-valine 108
                                                  L-valine derivative 108
                                                    elbasvir 0
                                                      Zepatier 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.