Compound Detail
CHEMBL3545123
PIBRENTASVIR 💊 Approved Drug
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💊 Approved Drug
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@H](c4cc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]c5cc4F)N3c3cc(F)c(N4CCC(c5ccc(F)cc5)CC4)c(F)c3)c(F)cc2[nH]1)[C@@H](C)OC
Basic Information
| ChEMBL ID | CHEMBL3545123 |
| Name | PIBRENTASVIR |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VJYSBPDEJWLKKJ-NLIMODCCSA-N |
| Therapeutic | ✓ Yes |
2
Targets
10
Activities
1
Assay Types
30
PK Parameters
11
Publications
4
Known Names
6
Indications
1
Mechanisms
Molecular Properties
1113.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2017 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Nonstructural protein 5A inhibitor | INHIBITOR | Nonstructural protein 5A | ✓ | ✓ |
Indications
Hepatitis C, Chronic Hepatitis C Stress Disorders, Post-Traumatic Kidney Diseases Liver Diseases Renal Insufficiency, Chronic
Activity Summary
EC50 10 meas. best 10.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5A CHEMBL3307224 | EC50 | 10.19 | 10.19 | 0.1 | 1 |
| Genome polyprotein CHEMBL5536 | EC50 | 9.7 | 9.7 | 0.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 252000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 10550.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 6470.0 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 20000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 3600.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 5990.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 2250.0 | ng.hr.mL-1 | Macaca mulatta |
| AUC | 3860.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 2730.0 | ng/ml | Canis lupus familiaris |
| AUC | 3860.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 5170.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 6720.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 6720.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 166.0 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 0.05 | mL.min-1.kg-1 | Mus musculus |
| CL | 1.167 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.617 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 2.5 | mL.min-1.kg-1 | Macaca mulatta |
| Cmax | 1140.0 | nM | Mus musculus |
| Cmax | 250.0 | nM | Rattus norvegicus |
| Cmax | 562.0 | nM | Canis lupus familiaris |
| Cmax | 260.0 | nM | Macaca mulatta |
| Cmax | 366.51 | nM | Mus musculus |
| Cmax | 304.53 | nM | Canis lupus familiaris |
| Cmax | 214.7 | nM | Canis lupus familiaris |
| Cmax | 304.53 | nM | Canis lupus familiaris |
| Cmax | 251.53 | nM | Mus musculus |
| F | 7.9 | % | Mus musculus |
| F | 9.9 | % | Rattus norvegicus |
| F | 29.8 | % | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 5A | EC50 | = | 0.064 | nM | 10.19 | Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decreas... | 29653491 |
| Genome polyprotein | EC50 | = | 0.2 | nM | 9.7 | Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrea... | 29653491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32881503 | 10.1021/acs.jmedchem.0c00956 | ADMET | 15 |
| 29653491 | 10.1021/acs.jmedchem.8b00082 | Nonstructural protein 5A | 10 |
| 29653491 | 10.1021/acs.jmedchem.8b00082 | Mus musculus | 10 |
| 29653491 | 10.1021/acs.jmedchem.8b00082 | Canis familiaris | 10 |
| 29653491 | 10.1021/acs.jmedchem.8b00082 | Rhesus monkey | 10 |
| 29653491 | 10.1021/acs.jmedchem.8b00082 | Genome polyprotein | 8 |
| 29653491 | 10.1021/acs.jmedchem.8b00082 | Rattus norvegicus | 8 |
| 32881503 | 10.1021/acs.jmedchem.0c00956 | No relevant target | 6 |
| 30685524 | 10.1016/j.ejmech.2019.01.025 | ADMET | 3 |
| 30685524 | 10.1016/j.ejmech.2019.01.025 | Hepatitis C virus serine protease, NS3/NS4A | 1 |
| 35060378 | 10.1021/acs.jmedchem.1c01687 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine