General
Preferred name
GSK-2982772
Synonyms
GSK 2982772 ()
7MJ ()
Cpd 5 ()
GSK2982772 ()
P&D ID
PD057971
CAS
1622848-92-3
Tags
available
probe
drug candidate
Drug indication
Plaque psoriasis
Ulcerative colitis
Rheumatoid arthritis
Psoriasis vulgaris
Immune System disease
Drug Status
investigational
Max Phase
2.0
Probe info
Probe type
calculated probe
experimental probe
P&D approved
Probe selectivity
protein-selective
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Orthogonal probes
1
No orthogonal probes found
Similar probes
2
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)
DESCRIPTION
GSK2982772 is a clinical candidate RIPK1 inhibitor, with anti-inflammatory potential . X-ray structure of co-crystals shows GSK2982772 in a Type III-like kinase inhibitor position.
DESCRIPTION
GSK2982772 is a first0in0class clinical candidate RIPK1 inhibitor, with anti-inflammatory potential . X-ray structure of co-crystals shows GSK2982772 in a Type III-like kinase inhibitor position.
COMMENT
The probe should be used in cellular system in combination with its enantiomer as negative control. Importantly, this probe shows significant species-differences as outlined by the authors in the J. Med. Chem. paper. Therefore, the probe can only be used in rodent acute models at relatively high doses (5-50 mg/Kg po, total systemic concentration significantly exceeding the recommended concentration range for cellular studies). When using the probe at these doses observed phenotypes will have to be linked back to on target activity by providing PK-PD correlations for proximal PD markers or the used of ko animals as controls. Dec 2 2020 - 10:12am; The enantiomer is very useful as a negative control probe. For orthogonal probe, e.g. in Cortellis Drug Discovery Intelligence there are 286 small molecules with Mw <750 g/mol that are used in either biological testing or preclinical phase as RIPK1 inhibitors. Dec 14 2020 - 8:36am
DESCRIPTION
GSK2982772 is a potent, orally active and ATP competitive RIP1 kinase inhibitor with IC50 values of 16 nM and 20 nM for human and monkey RIP1, respectively[1].
PRICE
191
DESCRIPTION
GSK2982772 is a first-in-class clinical candidate RIPK1 inhibitor, with anti-inflammatory potential . X-ray structure of co-crystals shows GSK2982772 in a Type III-like kinase inhibitor position.
(GtoPdb)
MOA
Inhibitor
(Chemical Probes.org)
DESCRIPTION
GSK2982772 is an inhibitor of receptor interacting serine/threonine kinase 1 (RIPK1)with IC50 values of 16 nM and 20 nM for human and monkey RIP1, respectively.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
1
Compound Sets
15
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Drugs
Chemical Probes.org
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
High-quality chemical probes
MedChem Express Bioactive Compound Library
Probe Miner (suitable probes)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
377.15
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
1.55
TPSA
100.21
Fraction CSP3
0.2
Chiral centers
1.0
Largest ring
7.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
NF-κB
MOA
RIPK inhibitor
Target
RIP1 inhibitor
RIP kinase,TNF-alpha
RIPK1
RIP Kinase
RIP1
Target class
Protein kinase
Kinase
Orthogonal probe
GSK481
Target subclass
TKL
Source data
