General
Preferred name
GRAZOPREVIR
Synonyms
MK-5172 (sodium salt) ()
Grazoprevir sodium salt ()
MK-5172 ()
GRAZOPREVIR ANHYDROUS ()
Grazoprevir hydrate ()
Grazoprevir potassium salt ()
MK-5172 (potassium salt) ()
MK-5172 (hydrate) ()
MK5172 ()
MK-5172 sodium salt ()
MK-5172 potassium salt ()
MK-5172 ANHYDROUS ()
Grazoprevir anhydrous component of zepatier ()
Grazoprevir monohydrate ()
Mk-5172 monohydrate ()
P&D ID
PD016328
CAS
1350514-68-9
1206524-86-8
1350462-55-3
1425038-27-2
Tags
available
drug candidate
drug
Approved by
FDA
First approval
2016
Drug Status
approved
investigational
Max Phase
3.0
4.0
Drug indication
chronic hepatitis C virus infection
viral disease
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
METABOLISM
Grazoprevir is partially eliminated by oxidative metabolism meditated by CYP3A [FDA Label]. No circulating metabolites of have been detected in human plasma.;
DESCRIPTION
Grazoprevir (MK-5172) is an HCV NS3/4A protease inhibitor class antiviral drug . In vitro evidence of activity against SARS-CoV-2 helicase and papain-like protease (PLpro) .
(GtoPdb)
DESCRIPTION
Grazoprevir (MK-5172) is a selective inhibitor of Hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants, with Kis of 0.01 nM (gt1b), 0.01 nM (gt1a), 0.08 nM (gt2a), 0.15 nM (gt2b), 0.90 nM (gt3a), respectively[1][2]. Grazoprevir inhibits SARS-CoV-2 3CLpro activity[3].
PRICE
188
DESCRIPTION
Grazoprevir hydrate (MK-5172 hydrate) is a selective inhibitor of Hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants, with Kis of 0.01 nM (gt1b), 0.01 nM (gt1a), 0.08 nM (gt2a), 0.15 nM (gt2b), 0.90 nM (gt3a), respectively[1][2]. Grazoprevir hydrate inhibits SARS-CoV-2 3CLpro activity[3].
DESCRIPTION
Grazoprevir potassium salt (MK-5172 potassium salt) is a selective inhibitor of Hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants, with Kis of 0.01 nM (gt1b), 0.01 nM (gt1a), 0.08 nM (gt2a), 0.15 nM (gt2b), 0.90 nM (gt3a), respectively[1][2]. Grazoprevir potassium salt inhibits SARS-CoV-2 3CLpro activity[3].
DESCRIPTION
Grazoprevir is an antiviral and NS3/4A protease inhibitor used to treat hepatitis C infections.
(Enamine Bioactive Compounds)
DESCRIPTION
Grazoprevir (MK-5172) is a nitrogenous macrocyclic compound used as an inhibitor of the hepatitis C virus NS3/4A protease. Grazoprevir is commonly combined with elbasvir for treating chronic HCV genotype 1 or 4 infections in adults.
(TargetMol Bioactive Compound Library)
DESCRIPTION
In biochemical assays, MK-5172 was effective against a panel of major genotypes and variants engineered with common resistant mutations observed in clinical studies with other NS3/4a protease inhibitors. In the replicon assay, MK-5172 demonstrated subnanomolar to low-nanomolar EC50s against genotypes 1a, 1b, and 2a.
In rats, MK-5172 showed a plasma clearance of 28 ml/min/kg and plasma half-life of 1.4 hr. When dosed p.o. at 5 mg/kg, the plasma exposure of MK-5172 was good with an AUC of 0.7 uM.hr. The liver exposure of the compound was quite good (23 uM at 4 hr), and MK-5172 remained in liver 24 hr after a single p.o. 5 mg/kg dose. At 24 hr, the liver concentration of MK-5172 was 0.2 uM, which was over 25-fold higher than the IC50 in the replicon assay with 50% NHS. When dosed to dogs, MK-5172 showed low clearance of 5 ml/min/kg and a 3 hr half-life after i.v. 2 mg/kg dosing and had good plasma exposure (AUC=0.4 uM.hr) after a p.o. 1 mg/kg dose. (BOC Sciences Bioactive Compounds)
In rats, MK-5172 showed a plasma clearance of 28 ml/min/kg and plasma half-life of 1.4 hr. When dosed p.o. at 5 mg/kg, the plasma exposure of MK-5172 was good with an AUC of 0.7 uM.hr. The liver exposure of the compound was quite good (23 uM at 4 hr), and MK-5172 remained in liver 24 hr after a single p.o. 5 mg/kg dose. At 24 hr, the liver concentration of MK-5172 was 0.2 uM, which was over 25-fold higher than the IC50 in the replicon assay with 50% NHS. When dosed to dogs, MK-5172 showed low clearance of 5 ml/min/kg and a 3 hr half-life after i.v. 2 mg/kg dosing and had good plasma exposure (AUC=0.4 uM.hr) after a p.o. 1 mg/kg dose. (BOC Sciences Bioactive Compounds)
DESCRIPTION
In biochemical assays, MK-5172 was effective against a panel of major genotypes and variants engineered with common resistant mutations observed in clinical studies with other NS3/4a protease inhibitors. In the replicon assay, MK-5172 demonstrated subnanomolar to low-nanomolar EC50s against genotypes 1a, 1b, and 2a.
In rats, MK-5172 showed a plasma clearance of 28 ml/min/kg and plasma half-life of 1.4 hr. When dosed p.o. at 5 mg/kg, the plasma exposure of MK-5172 was good with an AUC of 0.7 uM.hr. The liver exposure of the compound was quite good (23 uM at 4 hr), and MK-5172 remained in liver 24 hr after a single p.o. 5 mg/kg dose. At 24 hr, the liver concentration of MK-5172 was 0.2 uM, which was over 25-fold higher than the IC50 in the replicon assay with 50% NHS. When dosed to dogs, MK-5172 showed low clearance of 5 ml/min/kg and a 3 hr half-life after i.v. 2 mg/kg dosing and had good plasma exposure (AUC=0.4 uM.hr) after a p.o. 1 mg/kg dose. (BOC Sciences Bioactive Compounds)
In rats, MK-5172 showed a plasma clearance of 28 ml/min/kg and plasma half-life of 1.4 hr. When dosed p.o. at 5 mg/kg, the plasma exposure of MK-5172 was good with an AUC of 0.7 uM.hr. The liver exposure of the compound was quite good (23 uM at 4 hr), and MK-5172 remained in liver 24 hr after a single p.o. 5 mg/kg dose. At 24 hr, the liver concentration of MK-5172 was 0.2 uM, which was over 25-fold higher than the IC50 in the replicon assay with 50% NHS. When dosed to dogs, MK-5172 showed low clearance of 5 ml/min/kg and a 3 hr half-life after i.v. 2 mg/kg dosing and had good plasma exposure (AUC=0.4 uM.hr) after a p.o. 1 mg/kg dose. (BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
17
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
ChEMBL Approved Drugs
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
Enamine Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
NCATS Inxight Approved Drugs
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
54
Molecular Weight
766.34
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
7
Aromatic Ring Count
2
cLogP
3.3
TPSA
195.22
Fraction CSP3
0.63
Chiral centers
8.0
Largest ring
18.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HCV Protease
HCV
GT1a
GT1b
HCV NS3/4A protease
SARS-CoV
Pathway
Metabolic Enzyme/Protease
Anti-infection
Microbiology/virology
Proteases/Proteasome
MOA
Antiviral inhibitor
HCV inhibitor
Indication
hepatitis C
Solubility
In vitro:<br/>10 mM in DMSO
In Vitro:<br/>DMSO : ≥ 100 mg/mL(124.23 mM)<br/>In Vivo:<br/>1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline<br/>Solubility: ≥ 2.5 mg/mL (3.11 mM)
Clear solution<br/>2.Add each solvent one by one:10% DMSO >> 90%corn oil<br/>Solubility: ≥ 2.5 mg/mL (3.11 mM)
Clear solution
Source data
