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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_68595
http://purl.obolibrary.org/obo/CHEBI_68595
|
|---|---|
| Preferred Name | telaprevir |
| Synonyms |
Incivek
C36H53N7O6
VX-950
VX 950
(3S)-3-{[(1S,3aR,6aS)-2-[(2S)-2-[(2S)-2-cyclohexyl-2-(pyrazin-2-ylformamido)acetamido]-3,3-dimethylbutanoyl]-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-N-cyclopropyl-2-oxohexanamide
(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
(1S,3aR,6aS)-(2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydrocyclopenta(c)pyrrole-1-carboxamide
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | telaprevir
|
|---|---|
| label | telaprevir
|
| DBSynonym |
vrt111950
ly-570310
aids-213006
aids213006
vx-950
mp-424
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| ATCCode | J05AE11
|
| Definition | Telaprevir (VX-950) is a highly selective and potent inhibitor of the HCV NS3-4A serine protease. It is a member of a class of antiviral drugs known as protease inhibitors and is the first hepatitis C drug that has demonstrated activity in patients who have failed prior therapy. On April 28, 2011, the FDA Antiviral Drugs Advisory Committee voted 18-0 to recommend approval telaprevir for people with genotype 1 chronic hepatitis C and was approved in the U.S. in May, 2011.
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.
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| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey | InChIKey=BBAWEDCPNXPBQM-GDEBMMAJSA-N
|
| is metabolised by | |
| AHFScode | 8:18.40
|
| Synonym | Incivek
C36H53N7O6
VX-950
VX 950
(3S)-3-{[(1S,3aR,6aS)-2-[(2S)-2-[(2S)-2-cyclohexyl-2-(pyrazin-2-ylformamido)acetamido]-3,3-dimethylbutanoyl]-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-N-cyclopropyl-2-oxohexanamide
(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
(1S,3aR,6aS)-(2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydrocyclopenta(c)pyrrole-1-carboxamide
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|
| xref |
PubChem Compound:3010818
RxList:http://www.rxlist.com/incivek-drug.htm
Wikipedia:Telaprevir
Patent:WO2011103932
KEGG DRUG:D09012
Patent:US2006281688
CiteXplore:22537438
CiteXplore:22383557
CiteXplore:22515133
CiteXplore:23016967
CiteXplore:22095516
Patent:WO2005025517
HMDB:HMDB15616
ChemSpider:2279948
Wikipedia:http://en.wikipedia.org/wiki/Telaprevir
Patent:US2006252698
BindingDB:50212208
CiteXplore:21940388
Reaxys:10511882
Patent:US2007087973
CiteXplore:22180548
CiteXplore:22345334
Drugs.com:http://www.drugs.com/cdi/telaprevir.html
CiteXplore:22902721
Patent:US2006276407
Patent:WO2006127289
CiteXplore:22954756
CiteXplore:22642697
CiteXplore:21884670
PharmGKB:PA165958354
CiteXplore:22239508
Patent:US2005197301
Patent:US2006276405
CiteXplore:22471376
CASRN:402957-28-2
CiteXplore:22039291
CiteXplore:22806681
CiteXplore:22212567
ChEMBL:494996
CiteXplore:22222799
National Drug Code Directory:51167-100-01
CiteXplore:22169996
CiteXplore:22439668
CiteXplore:22404758
CiteXplore:22511937
CiteXplore:22889114
ChEBI:68595
CiteXplore:22423262
CiteXplore:22506260
CiteXplore:20945948
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| CASRN | 402957-28-2
|
| prefixIRI | obo2:CHEBI_68595
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| is transported by | |
| is substrate of | |
| 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
[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1
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| may interact with |
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| InChI | 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
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| DBBrand | incivek
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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