Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0X9CH
|
|||
| Former ID |
DNC001419
|
|||
| Drug Name |
Telaprevir
|
|||
| Synonyms |
402957-28-2; VX-950; Incivek; Telaprevir (VX-950); Incivo; MP-424; VX 950; Telavic; VX-950(Telaprevir); LY-570310; UNII-655M5O3W0U; VRT-111950; CHEMBL231813; CHEBI:68595; 655M5O3W0U; S-Telaprevir; (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-6-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Hepatitis C virus infection [ICD-11: 1E51.1; ICD-10: B18.2] | Approved | [1], [2] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C36H53N7O6
|
|||
| Canonical SMILES |
CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3CCCC3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=NC=CN=C5
|
|||
| 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
|
|||
| CAS Number |
CAS 402957-28-2
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
3723201, 10039409, 14839657, 16347884, 36059235, 49684228, 80491883, 96025695, 99455178, 103533130, 109693015, 111630651, 123105171, 126578521, 126666050, 126727848, 134223970, 134340525, 134340605, 135692887, 136920427, 137188810, 137273793, 141479428, 143498830, 152234951, 152258142, 152344432, 160645797, 160646981, 162011420, 162197409, 163884617, 164193943, 164765234, 175266405, 175426470, 175427024, 176250091, 184812119, 198992420, 223366200, 223385689, 223669631, 224452297, 226544280, 248618622, 249810645, 249821696, 251916476
|
|||
| ChEBI ID |
CHEBI:68595
|
|||
| ADReCS Drug ID | BADD_D02142 | |||
| SuperDrug ATC ID |
J05AE11
|
|||
| Drug Resistance Mutation (DRM) | Top | |||
|---|---|---|---|---|
| DRM | DRM Info | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Hepatitis C virus Serine protease NS3/4A (HCV NS3/4A) | Target Info | Modulator | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7871). | |||
| REF 2 | 2011 FDA drug approvals. Nat Rev Drug Discov. 2012 Feb 1;11(2):91-4. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.