Telaprevir (CHEM077381)
| Record Information | ||||||||||
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| Version | 1.0 | |||||||||
| Creation Date | 2026-04-04 18:13:30 UTC | |||||||||
| Update Date | 2026-08-22 11:57:26 UTC | |||||||||
| Accession Number | CHEM077381 | |||||||||
| Identification | ||||||||||
| Common Name | Telaprevir | |||||||||
| Class | Small Molecule | |||||||||
| Description | Telaprevir is an organic compound with the chemical formula C36H53N7O6. Telaprevir belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. With an average molecular weight of 679.86 g/mol, Telaprevir is a heavy molecule. This compound has been identified in three recorded sources: pharmaceuticals & veterinary products (specifically antivirals), food, food processing & cookware (specifically the preparation of malt), and household cleaning & consumer products (specifically non electric simulated smoking devices). The recorded route of exposure for this substance is oral. In terms of biological activity, Telaprevir interacts with four recorded protein targets. It serves as an inhibitor or modulator of the genome polyprotein (NS3/4A) and the genome polyprotein. Additionally, it targets solute carrier organic anion transporter family member 1B1 (SLCO1B1) and solute carrier organic anion transporter family member 2B1 (SLCO2B1). | |||||||||
| Contaminant Sources | Not Available | |||||||||
| Contaminant Type | Not Available | |||||||||
| Chemical Structure |  | |||||||||
| Synonyms | Not Available | |||||||||
| Chemical Formula | C36H53N7O6 | |||||||||
| Average Molecular Mass | 679.863 g/mol | |||||||||
| Monoisotopic Mass | 679.406 g/mol | |||||||||
| CAS Registry Number | 402957-28-2 | |||||||||
| IUPAC Name | 2-[2-[[2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide | |||||||||
| Traditional Name | Not Available | |||||||||
| SMILES | CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 | |||||||||
| InChI Identifier | 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) | |||||||||
| InChI Key | BBAWEDCPNXPBQM-UHFFFAOYSA-N | |||||||||
| Chemical Taxonomy | ||||||||||
| Classification | Not classified | |||||||||
| Biological Properties | ||||||||||
| Status | Detected and Not Quantified | |||||||||
| Origin | Not Available | |||||||||
| Cellular Locations | Not Available | |||||||||
| Biofluid Locations | Not Available | |||||||||
| Tissue Locations | Not Available | |||||||||
| Pathways |
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| Applications | Not Available | |||||||||
| Biological Roles | Not Available | |||||||||
| Chemical Roles | Not Available | |||||||||
| Physical Properties | ||||||||||
| State | Not Available | |||||||||
| Appearance | Not Available | |||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | |||||||||
| Spectra | ||||||||||
| Spectra |
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| Toxicity Profile | ||||||||||
| Route of Exposure | Not Available | |||||||||
| Mechanism of Toxicity | Not Available | |||||||||
| Metabolism | Not Available | |||||||||
| Toxicity Values | Not Available | |||||||||
| Lethal Dose | Not Available | |||||||||
| Carcinogenicity (IARC Classification) | Not Available | |||||||||
| Uses/Sources | Not Available | |||||||||
| Minimum Risk Level | Not Available | |||||||||
| Health Effects | Not Available | |||||||||
| Symptoms | Not Available | |||||||||
| Treatment | Not Available | |||||||||
| Concentrations | ||||||||||
| Not Available | ||||||||||
| External Links | ||||||||||
| Identifiers | Not Available | |||||||||
| References | ||||||||||
| Synthesis Reference | Not Available | |||||||||
| MSDS | Not Available | |||||||||
| General References | Not Available | |||||||||
