Compound Detail
CHEMBL3391662
PARITAPREVIR 💊 Approved Drug
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💊 Approved Drug
Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1
Basic Information
| ChEMBL ID | CHEMBL3391662 |
| Name | PARITAPREVIR |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | UAUIUKWPKRJZJV-QPLHLKROSA-N |
| Therapeutic | ✓ Yes |
2
Targets
2
Activities
2
Assay Types
6
PK Parameters
12
Publications
6
Known Names
3
Indications
1
Mechanisms
Molecular Properties
765.9
MW (Da)
3.64
ALogP
10
HBA
3
HBD
189.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2014 |
| 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 Hepatitis C, Chronic Hepatitis B, Chronic
Activity Summary
EC50 1 meas. best 9.68
IC50 1 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.74 | 9.74 | 0.2 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 9.68 | 9.68 | 0.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 14551.91 | ng.hr.mL-1 | Rattus norvegicus |
| F | 53.0 | % | Homo sapiens |
| F | 41.0 | % | Canis lupus familiaris |
| T1/2 | 5.5 | hr | Homo sapiens |
| T1/2 | 0.4 | hr | Rattus norvegicus |
| T1/2 | 1.2 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.18 | nM | 9.74 | Inhibition of HCV NS3/4A protease | 28501513 |
| Hepatitis C virus | EC50 | = | 0.21 | nM | 9.68 | Antiviral activity against HCV genotype 1b after 3 days by luciferase reporter a... | 26241789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 30685524 | 10.1016/j.ejmech.2019.01.025 | ADMET | 4 |
| 38179950 | 10.1021/acs.jmedchem.3c01971 | ADMET | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 26241789 | 10.1021/acs.jmedchem.5b00825 | Hepatitis C virus | 1 |
| 28501513 | 10.1016/j.bmcl.2017.05.001 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 31133531 | 10.1016/j.bmcl.2019.03.037 | Unchecked | 1 |
| 30685524 | 10.1016/j.ejmech.2019.01.025 | Hepatitis C virus serine protease, NS3/NS4A | 1 |
Data from ChEMBL 36 via Core Engine