Compound Detail
CHEMBL231813
TELAPREVIR 💊 Approved Drug
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💊 Approved Drug
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
Basic Information
| ChEMBL ID | CHEMBL231813 |
| Name | TELAPREVIR |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | BBAWEDCPNXPBQM-GDEBMMAJSA-N |
| Therapeutic | ✓ Yes |
19
Targets
203
Activities
4
Assay Types
13
PK Parameters
20
Publications
11
Known Names
7
Indications
1
Mechanisms
Molecular Properties
679.9
MW (Da)
2.45
ALogP
8
HBA
4
HBD
179.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2011 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Hepatitis C virus serine protease, NS3/NS4A inhibitor | INHIBITOR | Hepatitis C virus serine protease, NS3/NS4A | ✓ | ✓ |
Indications
Hepatitis C, Chronic Virus Diseases Hepatitis C HIV Infections Infections Thrombocytopenia Liver Diseases
ATC Classification
J05AP02
telaprevir
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIVIRALS FOR SYSTEMIC USE
Drug Warnings
Black Box Warning
General Warning
Activity Summary
EC50 116 meas. best 8.11
IC50 48 meas. best 7.58
Ki 27 meas. best 8.49
Kd 12 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.49 | 7.43 | 3.2 | 19 |
| NS3 protease CHEMBL4296313 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Hepatitis C virus CHEMBL379 | Ki | 8.36 | 7.5833 | 4.4 | 3 |
| Hepatitis C virus serine protease, NS3/NS4A CHEMBL2095231 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 8.11 | 6.2521 | 7.8 | 109 |
| Unchecked CHEMBL612545 | EC50 | 8.1 | 8.1 | 8.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 8.07 | 6.3642 | 8.5 | 12 |
| Chymase CHEMBL4068 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Chymotrypsin-like elastase family member 1 CHEMBL3000 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Internal ribosome entry site (IRES) CHEMBL612412 | Ki | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 6.345 | 50.0 | 12 |
| enterovirus D68 CHEMBL613204 | EC50 | 7.28 | 6.4833 | 52.1 | 6 |
| Hepatitis C virus CHEMBL379 | IC50 | 7.2 | 6.0133 | 63.0 | 12 |
| NS3 protease CHEMBL4296325 | Ki | 7.09 | 6.15 | 82.0 | 2 |
| NS3 protease CHEMBL4296313 | IC50 | 6.89 | 6.2186 | 130.0 | 7 |
| Cathepsin B CHEMBL4072 | IC50 | 6.68 | 5.8933 | 210.0 | 3 |
| Cathepsin S CHEMBL2954 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Non-structural protein 4b CHEMBL6066153 | IC50 | 6.45 | 6.45 | 354.0 | 1 |
| Cathepsin K CHEMBL268 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Neutrophil elastase CHEMBL248 | IC50 | 6.17 | 5.4567 | 680.0 | 3 |
| Cathepsin L2 CHEMBL3272 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Plasminogen CHEMBL1801 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 4.97 | 4.955 | 10700.0 | 2 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 4.94 | 4.94 | 11552.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 19.0 | uM | Mus musculus |
| AUC | 3.0 | uM | Mus musculus |
| AUC | 1046.98 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2270.73 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 27670.3 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 54.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 42.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 630.0 | nM | Rattus norvegicus |
| F | 34.8 | % | Rattus norvegicus |
| F | 25.0 | % | Rattus norvegicus |
| F | 40.7 | % | Canis lupus familiaris |
| T1/2 | 35.0 | hr | - |
| T1/2 | 0.3333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine