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boceprevir 🐶 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 | 4172 | 394730-60-0 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
Boceprevir is an inhibitor of the HCV NS3/4A protease that is necessary for the proteolytic cleavage of the HCV encoded polyprotein into mature forms of the NS4A, NS4B, NS5A and NS5B proteins. Boceprevir covalently, yet reversibly, binds to the NS3 protease active site serine (S139) through an (alpha)-ketoamide functional group to inhibit viral replication in HCV-infected host cells. In a biochemical assay, boceprevir inhibited the activity of recombinant HCV genotype 1a and 1b NS3/4A protease enzymes, with Ki values of 14 nM for each subtype.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 2.40 | g | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Hosey CM, Chan R, Benet LZ |
| S (Water solubility) | 1.50 mg/mL | Bocci G, Oprea TI, Benet LZ |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.501 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 20.370 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 22.646 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 14.488 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 5.600 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 15.550 | % | High | 1 |
| herg | hERG pIC50 | 4.688 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 12.560 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 170.608 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 7.490 | % | High | 1 |
| kinase-safety-class | ACVR2B,AXL,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,NTRK2,PDK1,PDK2,PRKDC,TEK | 15 | |||
| kinase-selectivity-class | GRK2,PDK1 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 30.549 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 53.456 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 8.540 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 131.522 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 12.400 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 53.211 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 46.670 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 6.930 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 636.796 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| May 13, 2011 | FDA | MERCK SHARP DOHME |
FDA Adverse Event Reporting System (Female)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Anaemia | 212.58 | 39.19 | 98 | 1055 | 352704 | 90274590 |
| Neutropenia | 85.44 | 39.19 | 46 | 1107 | 224858 | 90402436 |
| Dysgeusia | 42.07 | 39.19 | 18 | 1135 | 52542 | 90574752 |
FDA Adverse Event Reporting System (Male)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Anaemia | 218.09 | 45.54 | 126 | 1272 | 280152 | 42339785 |
| Dysgeusia | 80.09 | 45.54 | 33 | 1365 | 34156 | 42585781 |
| Neutropenia | 50.83 | 45.54 | 46 | 1352 | 199385 | 42420552 |
FDA Adverse Event Reporting System (Geriatric)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Anaemia | 384.16 | 35.94 | 196 | 2066 | 546890 | 110040147 |
| Neutropenia | 126.11 | 35.94 | 84 | 2178 | 374536 | 110212501 |
| Dysgeusia | 98.33 | 35.94 | 41 | 2221 | 69944 | 110517093 |
| Ascites | 60.49 | 35.94 | 32 | 2230 | 92776 | 110494261 |
| Thrombocytopenia | 56.87 | 35.94 | 51 | 2211 | 348834 | 110238203 |
| Leukopenia | 51.31 | 35.94 | 34 | 2228 | 148757 | 110438280 |
| Pancytopenia | 49.45 | 35.94 | 38 | 2224 | 209575 | 110377462 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | J05AP03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIVIRALS FOR SYSTEMIC USE DIRECT ACTING ANTIVIRALS Antivirals for treatment of HCV infections |
| FDA MoA | N0000182141 | Cytochrome P450 3A4 Inhibitors |
| FDA MoA | N0000182638 | HCV NS3/4A Protease Inhibitors |
| FDA EPC | N0000182639 | Hepatitis C Virus NS3/4A Protease Inhibitor |
| FDA MoA | N0000190115 | Cytochrome P450 3A5 Inhibitors |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:36044 | antiviral drug |
| CHEBI has role | CHEBI:63175 | peptidomimetic |
| CHEBI has role | CHEBI:64924 | hepatitis C protease inhibitor |
Related Drugs by ATC class:
J05AP Antivirals for treatment of HCV infections 18 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Chronic hepatitis C | indication | 128302006 | |
| Anemia | contraindication | 271737000 | DOID:2355 |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.84 | acidic |
| pKa2 | 13.48 | acidic |
| pKa3 | 13.89 | acidic |
Orange Book patent data (new drug applications)
| Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Patent number | Patent expiration date | Patent use |
|---|---|---|---|---|---|---|---|---|---|---|
| 200MG | VICTRELIS | MERCK SHARP DOHME | N202258 | May 13, 2011 | DISCN | CAPSULE | ORAL | 8119602 | March 17, 2027 | TREATMENT OF CHRONIC HEPATITIS C (CHC) GENOTYPE 1 INFECTION, ADMINISTERED WITH FOOD |
| 200MG | VICTRELIS | MERCK SHARP DOHME | N202258 | May 13, 2011 | DISCN | CAPSULE | ORAL | 7772178 | Nov. 11, 2027 | TREATMENT OF CHRONIC HEPATITIS C (CHC) GENOTYPE 1 INFECTION IN COMBINATION WITH PEGINTERFERON ALFA AND RIBAVIRIN IN ADULT PATIENTS (>=18 YEARS OF AGE) WITH COMPENSATED LIVER DISEASE |
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 |
|---|---|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Enzyme | IC50 | 4.77 | CHEMBL | |||||
| Cathepsin B | Enzyme | IC50 | 5.21 | CHEMBL | |||||
| Cathepsin L1 | Enzyme | IC50 | 6.12 | CHEMBL | |||||
| Chymase | Enzyme | IC50 | 7.49 | CHEMBL | |||||
| Lysosomal protective protein | Enzyme | INHIBITOR | IC50 | 6 | IUPHAR | ||||
| Cathepsin K | Enzyme | IC50 | 7.40 | CHEMBL | |||||
| Cathepsin S | Enzyme | IC50 | 6.92 | CHEMBL | |||||
| Cathepsin F | Enzyme | IC50 | 5.96 | CHEMBL | |||||
| Cathepsin L2 | Enzyme | IC50 | 7.12 | CHEMBL | |||||
| Hepatitis C virus serine protease, NS3/NS4A | Enzyme | INHIBITOR | Ki | 8.96 | CHEMBL | CHEMBL | |||
| Nonstructural protein NS3-4A | Enzyme | Ki | 7.85 | CHEMBL | |||||
| Replicase polyprotein 1ab | Enzyme | IC50 | 5.38 | CHEMBL | |||||
| NS3 protease | Enzyme | Ki | 7.85 | CHEMBL | |||||
| Replicase polyprotein 1a | Enzyme | INHIBITOR | IC50 | 6.02 | IUPHAR | ||||
| Genome polyprotein | Polyprotein | Ki | 7.85 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| 4030728 | VUID |
| N0000182738 | NUI |
| D08876 | KEGG_DRUG |
| 4030728 | VANDF |
| C1738934 | UMLSCUI |
| CHEBI:68621 | CHEBI |
| HU5 | PDB_CHEM_ID |
| CHEMBL218394 | ChEMBL_ID |
| DB08873 | DRUGBANK_ID |
| C512204 | MESH_SUPPLEMENTAL_RECORD_UI |
| 7876 | IUPHAR_LIGAND_ID |
| 8840 | INN_ID |
| 89BT58KELH | UNII |
| 10324367 | PUBCHEM_CID |
| 1102129 | RXNORM |
| 181444 | MMSL |
| 27875 | MMSL |
| d07774 | MMSL |
| 013772 | NDDF |
| 698183007 | SNOMEDCT_US |
| 703961009 | SNOMEDCT_US |
Pharmaceutical products:
None