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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 Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 multiple interactions ISO telaprevir inhibits the reaction [CYP3A4 protein results in increased metabolism of Simvastatin] CTD PMID:24927617 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      biological role 19751
        biochemical role 19368
          peptidomimetic 14
            telaprevir 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        carboacyl group 17469
                                          univalent carboacyl group 17469
                                            carbamoyl group 17285
                                              carboxamide 17285
                                                peptide 9455
                                                  oligopeptide 1268
                                                    telaprevir 1
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