General
Preferred name
GS-441524
Synonyms
GS 441524 ()
Gs441524 ()
P&D ID
PD127612
CAS
1191237-69-0
Tags
available
drug candidate
Drug indication
Coronavirus Disease 2019 (COVID-19)
Drug Status
experimental
investigational
Max Phase
Phase 1
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 GS-441524 is the parent nucleoside that is metabolically liberated from . Both compounds block RNA transcription by inhibiting the viral RNA-dependent RNA polymerase (RdRP). GS-441524 is the major metabolite and persists in the circulation with a longer half-life than remdesivir. GS-441524 potently inhibits SARS-CoV-2 replication in in vitro and in vivoinfection models . (GtoPdb)
DESCRIPTION Coronavirus Mpro inhibitor (Tocris Bioactive Compound Library)
Cell lines
0
Organisms
17
Compound Sets
11
AdooQ Bioactive Compound Library
A22045
Cayman Chemical Bioactives
30469
ChEMBL Drugs
CHEMBL2016757
DrugBank
DB15686
DrugMAP
DMNZO7M
Guide to Pharmacology
11445
MedChem Express Bioactive Compound Library
HY-103586
ReFrame library
Selleckchem Bioactive Compound Library
gs-441524
TargetMol Bioactive Compound Library
T7222
Tocris Bioactive Compound Library
7227
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
291.1
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
4
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
-1.86
TPSA
149.92
Fraction CSP3
0.42
Chiral centers
4.0
Largest ring
6.0
QED
0.5
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Primary Target
RNA Polymerase
MOA
Inhibitor
Therapeutic Class
Antiviral Agents
Pathway
Anti-infection
Cell Cycle/DNA Damage
Target
DNA/RNA Synthesis
SARS-CoV
Antiviral
Source data