grazoprevir 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
Hepatitis Virus C (HVC) protease inhibitors	5081	1350514-68-9

Description:

Molecule

Description

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: OFP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

Dose	Unit	Route
0.10	g	O

ADMET properties:

Property	Value	Reference
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

Approvals:

Date	Agency	Company	Orphan
Jan. 28, 2016	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
Pancreas transplant rejection	80.19	53.57	7	8	146	63488861

FDA Adverse Event Reporting System (Male)

None

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
Pancreas transplant rejection	74.37	68.87	7	12	318	79744051

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
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 drugs
CHEBI has role	CHEBI:62868	hepatoprotective agents
CHEBI has role	CHEBI:64924	hepatitis C protease inhibitors

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	4.1	acidic
pKa2	1.52	Basic

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
50MG;100MG	ZEPATIER	MSD SUB MERCK	N208261	Jan. 28, 2016	RX	TABLET	ORAL	7973040	July 24, 2029	TREATMENT OF PATIENTS INFECTED WITH HEPATITIS C VIRUS
50MG;100MG	ZEPATIER	MSD SUB MERCK	N208261	Jan. 28, 2016	RX	TABLET	ORAL	8871759	May 4, 2031	TREATMENT OF PATIENTS INFECTED WITH HEPATITIS C VIRUS

Orange Book exclusivity data (new drug applications)

Formulation strength	Trade name	Applicant	Application number	Approval date	Type	Dose form	Route	Exclusivity date	Description
50MG;100MG	ZEPATIER	MSD SUB MERCK	N208261	Jan. 28, 2016	RX	TABLET	ORAL	Dec. 9, 2024	NEW PATIENT POPULATION

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Genome polyprotein	Polyprotein		POLG_HCVBK	INHIBITOR	EC50	12.30		DRUG LABEL	DRUG LABEL
Genome polyprotein	Polyprotein		POLG_HCVH	INHIBITOR	EC50	12.40		DRUG LABEL	DRUG LABEL
Genome polyprotein	Polyprotein		POLG_HCVED	INHIBITOR	EC50	12.52		DRUG LABEL	DRUG LABEL
NS3	Enzyme		A3EZI9_9HEPC		Ki	10.40		CHEMBL
Genome polyprotein	Unclassified		A3EZJ3_9HEPC		Ki	10.40		CHEMBL
Genome polyprotein	Unclassified		K7XJL6_9HEPC		Ki	9.85		CHEMBL
NS3 protease	Unclassified		Q0ZMF1_9HEPC		IC50	10.15		CHEMBL

External reference:

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

Pharmaceutical products:

None