General
Preferred name
GRL0617
Synonyms
GRL 0617 ()
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide ()
GRL-0617 ()
P&D ID
PD004242
CAS
1093070-16-6
Tags
available
drug candidate
Drug indication
Coronavirus infection
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION GRL-0617 is an inhibitor of SARS-CoV and SARS-CoV-2 papain-like proteases (PL-pro) . It is selective for the viral proteases over human proteases. GRL-0617 blocks both PL-pro-mediated actions towards host biological processes and virus replication . (GtoPdb)
DESCRIPTION High affinity proteasome inhibitor (Tocris Bioactive Compound Library)
Cell lines
0
Organisms
2
Compound Sets
11
AdooQ Bioactive Compound Library
A18780
Cayman Chemical Bioactives
33348
Concise Guide to Pharmacology 2023/24
11078
DrugBank
DB08656
DrugMAP
DMX9AGF
Guide to Pharmacology
11078
IPPI - DB
2407
2406
MedChem Express Bioactive Compound Library
HY-117043
Selleckchem Bioactive Compound Library
grl0617
TargetMol Bioactive Compound Library
T11464
Tocris Bioactive Compound Library
7280
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
304.16
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
4.22
TPSA
55.12
Fraction CSP3
0.15
Chiral centers
1.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
DNA Damage/DNA Repair
Microbiology&virology?
Anti-infection
Cell Cycle/DNA Damage
Target
Deubiquitinase
SARS-CoV Plpro
SARS-CoV
DUB,SARS-CoV
Primary Target
Papain-like Proteases
MOA
Inhibitor
Source data