General
Preferred name
MK2-IN-3
Synonyms
MK-2 Inhibitor III ()
MK2 Inhibitor III ()
PMID17480064C16 ()
MK2-IN-3 (hydrate) ()
MK2-IN-3 hydrate ()
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
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 MK2-IN-3 hydrate (compound 16) is an orally active, selective, and ATP-competitive MAPKAP-K2 (MK-2) inhibitor with an IC50 of 0.85 nM.MK2-IN-3 hydrate is exceptional selectivity against MK-3 (IC50=0.21 ¦ÌM), MK-5 (IC50=0.081 ¦ÌM), ERK2 (IC50=3.44 ¦ÌM), MNK1(IC50=5.7 ¦ÌM) as well as CDK2, JNK2, IKK2, MSK1, and MSK2[1].
PRICE 73
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-IN-3 is a potent and selective inhibitor of MAPKAP-K2 (MK-2), with an IC50 of 8.5 nM. MK2-IN-3 shows selectivity for MK-2 over MK-3, MK-5, ERK2, MNK1, p38a (IC50s=0.21, 0.081, 3.44, 5.7, and >100 ¦ÌM, respectively) and MSK1, MSK2, CDK2, JNK2, IKK2 (IC50s>200 ¦ÌM). MK2-IN-3 can reduce TNF¦Á production in both U937 cells and in vivo[1].
PRICE 92
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)
DESCRIPTION MK2-IN-3 hydrate (MK-2 Inhibitor III) is an orally active, selective, and ATP-competitive inhibitor of MAPKAP-K2 (MK-2) (IC50 of 0.85 nM) (TargetMol Bioactive Compound Library)
DESCRIPTION MK2-IN-3 (MK2 Inhibitor III) is a potent, cell-permeable inhibitor of mitogen-activated protein kinase-activated protein kinase 2 (MAPKAP-K2 or MK-2) and can be used for the treatment of rheumatoid arthritis (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
12
Axon Medchem Screening Library
3440
BOC Sciences Bioactive Compounds
mk2-inhibitor-iii-cas-1186648-22-5-291058
Cayman Chemical Bioactives
15943
CZ-OPENSCREEN Bioactive Library
DrugBank
DB08358
DrugMAP
DM4IABG
Guide to Pharmacology
8177
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL226403
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL226403
MedChem Express Bioactive Compound Library
HY-112457
HY-131249
Selleckchem Bioactive Compound Library
mk2-inhibitor-iii
TargetMol Bioactive Compound Library
T12058
T9034
External IDs
23
Properties
(calculated by RDKit )
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)
Target
ERK2
MK2
MK3
MK5
MNK1
MAPK
MAPKAPK2 (MK2)
MK-2 inhibitor
MAPKAPK2
Pathway
MAPK/ERK Pathway
Source data