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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:telaprevir
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Accession:CHEBI:68595 term browser browse the term
Definition:An oligopeptide consisting of N-(pyrazin-2-ylcarbonyl)cyclohexylalanyl, 3-methylvalyl, octahydrocyclopenta[c]pyrrole-1-carboxy, and 3-amino-N-cyclopropyl-2-oxohexanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection.
Synonyms:exact_synonym: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide
 related_synonym: (1S,3aR,6aS)-(2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydrocyclopenta(c)pyrrole-1-carboxamide;   Formula=C36H53N7O6;   InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1;   InChIKey=BBAWEDCPNXPBQM-GDEBMMAJSA-N;   Incivek;   SMILES=[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1;   VX 950
 xref: CAS:402957-28-2;   Drug_Central:4173;   HMDB:HMDB0015616;   KEGG:D09012
 xref_mesh: MESH:C486464
 xref: PMID:20945948;   PMID:21884670;   PMID:21940388;   PMID:22039291;   PMID:22095516;   PMID:22169996;   PMID:22180548;   PMID:22212567;   PMID:22222799;   PMID:22239508;   PMID:22345334;   PMID:22383557;   PMID:22404758;   PMID:22423262;   PMID:22439668;   PMID:22471376;   PMID:22506260;   PMID:22511937;   PMID:22515133;   PMID:22537438;   PMID:22642697;   PMID:22806681;   PMID:22889114;   PMID:22902721;   PMID:22954756;   PMID:23016967;   PMID:25017682;   Patent:US2005197301;   Patent:US2006252698;   Patent:US2006276405;   Patent:US2006276407;   Patent:US2006281688;   Patent:US2007087973;   Patent:WO2005025517;   Patent:WO2006127289;   Patent:WO2011103932;   Reaxys:10511882;   Wikipedia:Telaprevir


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telaprevir term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 multiple interactions ISO telaprevir inhibits the reaction [CYP3A4 protein results in increased metabolism of Simvastatin] CTD PMID:24927617 NCBI chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        biochemical role 19360
          peptidomimetic 14
            telaprevir 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic group 18569
                              organic divalent group 18560
                                organodiyl group 18560
                                  carbonyl group 18468
                                    carbonyl compound 18468
                                      carboxylic acid 18142
                                        carboacyl group 17404
                                          univalent carboacyl group 17404
                                            carbamoyl group 17189
                                              carboxamide 17189
                                                peptide 9408
                                                  oligopeptide 1204
                                                    telaprevir 1
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