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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 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      biological role 19866
        biochemical role 19571
          peptidomimetic 17
            telaprevir 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  carbon oxoacid 18675
                                    carboxylic acid 18672
                                      carboacyl group 17712
                                        univalent carboacyl group 17712
                                          carbamoyl group 17563
                                            carboxamide 17563
                                              peptide 11442
                                                oligopeptide 1350
                                                  telaprevir 1
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