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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

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:

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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

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Approvals:

Date	Agency	Company	Orphan
Jan. 28, 2016	FDA	MERCK SHARP DOHME

FDA Adverse Event Reporting System (Female)

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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

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FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

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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

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FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

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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
CHEBI has role	CHEBI:36044	antiviral drugs
CHEBI has role	CHEBI:62868	hepatoprotective agents
CHEBI has role	CHEBI:64924	hepatitis C protease inhibitors
MeSH PA	D000890	Anti-Infective Agents
MeSH PA	D000998	Antiviral Agents

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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)

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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

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Orange Book exclusivity data (new drug applications)

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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

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Bioactivity Summary:

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Target	Class	UniProt	Action	Type	Activity value (-log[M])	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

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External reference:

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ID	Source
016674	NDDF
11573	IUPHAR_LIGAND_ID
1350462-55-3	SECONDARY_CAS_RN
1734630	RXNORM
31483	MMSL
4035374	VANDF
44603531	PUBCHEM_CID
4O2AB118LA	UNII
716041004	SNOMEDCT_US
816104003	SNOMEDCT_US

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Pharmaceutical products:

None