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telaprevir - Ontology Report - Rat Genome Database

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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 chr12:9,207,978...9,230,064
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 20845
    role 20805
      biological role 20803
        biochemical role 20250
          peptidomimetic 17
            telaprevir 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    p-block element atom 20766
                      carbon group element atom 20699
                        carbon atom 20693
                          organic molecular entity 20693
                            heteroorganic entity 20202
                              organochalcogen compound 19890
                                organooxygen compound 19792
                                  carbon oxoacid 19137
                                    carboxylic acid 19134
                                      carboacyl group 18064
                                        univalent carboacyl group 18064
                                          carbamoyl group 17899
                                            carboxamide 17899
                                              peptide 11657
                                                oligopeptide 1711
                                                  telaprevir 1
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