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vaniprevir 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| Hepatitis Virus C (HVC) protease inhibitors | 4939 | 923590-37-8 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
inhibits hepatitis C virus NS3/4a protease
|
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.643 | High | 0.80 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 62.373 | High | 0.80 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 6.546 | 10^-6 cm/s | High | 0.80 |
| dh-clint | Dog hepatocyte intrinsic clearance | 15.885 | uL/min/10^6 cells | High | 0.80 |
| dppb | Dog plasma protein binding (% unbound) | 2 | % | High | 0.80 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 4.210 | % | High | 0.80 |
| herg | hERG pIC50 | 4.523 | pIC50 | High | 0.80 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.837 | uL/min/10^6 cells | High | 0.80 |
| hlm-clint | Human liver microsomal intrinsic clearance | 93.541 | uL/min/mg protein | High | 0.80 |
| hppb | Human plasma protein binding (% unbound) | 2.610 | % | High | 0.80 |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 21.086 | High | 0.80 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 14.825 | High | 0.80 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.990 | High | 0.80 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 120.504 | High | 0.80 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 2.800 | % | High | 0.80 |
| rh-clint | Rat hepatocyte intrinsic clearance | 14.322 | uL/min/10^6 cells | High | 0.80 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 28.330 | % | High | 0.80 |
| rppb | Rat plasma protein binding (% unbound) | 1.800 | % | High | 0.80 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 511.682 | uM | High | 0.80 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 26, 2014 | PMDA |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:36044 | antiviral drug |
| CHEBI has role | CHEBI:64924 | hepatitis C protease inhibitor |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Chronic hepatitis C | indication | 128302006 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.6 | acidic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Cathepsin S | Enzyme | IC50 | 4.11 | CHEMBL | |||||
| Genome polyprotein | Polyprotein | INHIBITOR | Ki | 10.30 | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||
| Genome polyprotein | Polyprotein | INHIBITOR | Ki | 9.05 | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||
| Nonstructural protein NS3-4A | Enzyme | Ki | 10.30 | CHEMBL | |||||
| Genome polyprotein | Polyprotein | Ki | 7.66 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| D09987 | KEGG_DRUG |
| CHEBI:136047 | CHEBI |
| SU3 | PDB_CHEM_ID |
| CHEMBL4525964 | ChEMBL_ID |
| C540393 | MESH_SUPPLEMENTAL_RECORD_UI |
| 11570 | IUPHAR_LIGAND_ID |
| DB11929 | DRUGBANK_ID |
| C2931927 | UMLSCUI |
| 9219 | INN_ID |
| 24765256 | PUBCHEM_CID |
| CV3X74AO1H | UNII |
Pharmaceutical products:
None