General
Preferred name
MK2 Inhibitor III
Synonyms
MK2-IN-3 ()
PMID17480064C16 ()
MK2-IN-3 (hydrate) ()
MK-2 Inhibitor III ()
2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE ()
compound 16 [PMID: 17480064] ()
P&D ID
PD004473
CAS
724711-21-1
1186648-22-5
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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)
DESCRIPTION
Compound 16 is reported as a novel, potent and selective inhibitor of mitogen-activated protein kinase-activated protein kinase 2 (MK-2) .
(GtoPdb)
DESCRIPTION
MK2 inhibitor III is a cell-permeable and ATP-competitive inhibitor of mitogen-activated protein kinase-activated protein kinase 2 (MAPKAP-K2 or MK-2). It was shown to block LPS-induced synthesis of TNF-α in human monocyte-like U937 cells with IC50 value of 4.4 µM.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
12
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
DrugBank
DrugMAP
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
340.13
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
4
cLogP
3.58
TPSA
70.67
Fraction CSP3
0.1
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
MAPK
MAPK/ERK Pathway
Target
MK-2 inhibitor
MAPKAPK2 (MK2)
MAPKAPK2
Source data
