grazoprevir 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
Hepatitis Virus C (HVC) protease inhibitors 5081 1350514-68-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • grazoprevir
  • grazoprevir hydrate
  • MK-5172
  • MK5172
  • MK 5172
has antiviral activity
  • Molecular weight: 766.91
  • Formula: C38H50N6O9S
  • CLOGP: 6.19
  • LIPINSKI: 3
  • HAC: 15
  • HDO: 3
  • TPSA: 195.22
  • ALOGS: -4.85
  • ROTB: 7
  • Status: OFM
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

DoseUnitRoute
0.10 g O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 4 Bocci G, Oprea TI, Benet LZ
BA (Bioavailability) 0.16 % Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class EIF2AK3,GRK2,PDK1,PDK2,PDK4 5
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
Jan. 28, 2016 FDA MERCK SHARP DOHME

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Pancreas transplant rejection 81.90 55.13 7 8 164 90628268

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Pancreas transplant rejection 75.64 70.56 7 12 369 110588911

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC J05AP11 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Antivirals for treatment of HCV infections
ATC J05AP54 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Antivirals for treatment of HCV infections
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000998 Antiviral Agents
CHEBI has role CHEBI:36044 antiviral drug
CHEBI has role CHEBI:62868 hepatoprotective agent
CHEBI has role CHEBI:64924 hepatitis C protease inhibitor

Related Drugs by ATC class:

J05AP Antivirals for treatment of HCV infections 18 drugs
asunaprevirbeclabuvirboceprevirdaclatasvirdasabuvirelbasvirglecaprevirledipasvirombitasvirparitaprevirpibrentasvirribavirin show all 18 →

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Chronic hepatitis C indication 128302006




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.1 acidic
pKa2 1.52 Basic

Orange Book patent data (new drug applications)

Formulation strengthTrade nameApplicantApplication numberApproval dateTypeDose formRoutePatent numberPatent expiration datePatent use
50MG;100MG ZEPATIER MSD SUB MERCK N208261 Jan. 28, 2016 DISCN TABLET ORAL 7973040 July 24, 2029 TREATMENT OF PATIENTS INFECTED WITH HEPATITIS C VIRUS
50MG;100MG ZEPATIER MSD SUB MERCK N208261 Jan. 28, 2016 DISCN TABLET ORAL 8871759 May 4, 2031 TREATMENT OF PATIENTS INFECTED WITH HEPATITIS C VIRUS

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Genome polyprotein Polyprotein INHIBITOR EC50 12.30 DRUG LABEL DRUG LABEL
Genome polyprotein Polyprotein INHIBITOR EC50 12.40 DRUG LABEL DRUG LABEL
Genome polyprotein Polyprotein INHIBITOR EC50 12.52 DRUG LABEL DRUG LABEL
NS3 Enzyme Ki 10.40 CHEMBL
Genome polyprotein Polyprotein Ki 10.40 CHEMBL
Genome polyprotein Polyprotein Ki 9.85 CHEMBL
NS3 protease Enzyme IC50 10.15 CHEMBL

External reference:

IDSource
4O2AB118LA UNII
D10639 KEGG_DRUG
4035374 VANDF
C4080053 UMLSCUI
CHEBI:132975 CHEBI
CHEMBL3039533 ChEMBL_ID
44603531 PUBCHEM_CID
DB11575 DRUGBANK_ID
CHEMBL2063090 ChEMBL_ID
C578009 MESH_SUPPLEMENTAL_RECORD_UI
11573 IUPHAR_LIGAND_ID
1734630 RXNORM
31483 MMSL
d08417 MMSL
016674 NDDF
716041004 SNOMEDCT_US
816104003 SNOMEDCT_US
SUE PDB_CHEM_ID
1350462-55-3 SECONDARY_CAS_RN

Pharmaceutical products:

None