General
Preferred name
BMS-582949
Synonyms
BMS 582949 ()
PS540446 ()
BMS-582949 hydrochloride ()
BMS582949 ()
BMS-582949 HCl ()
BMS-582949 (hydrochloride) ()
PS-540446 ()
P&D ID
PD050860
CAS
623152-17-0
912806-16-7
Tags
available
drug candidate
Drug indication
Psoriasis vulgaris
Atherosclerosis
Drug Status
investigational
Max Phase
2.0
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 BMS-582949 is an inhibitor of p38 mitogen-activated protein kinase (MAPK). Its discovery is described in . (GtoPdb)
DESCRIPTION BMS-582949 hydrochloride is a potent and selective P38 mitogen-activated protein kinase (P38 MAPK) inhibitor with IC50 of 13 nM. It displays >2000-fold selectivity for p38α over a diverse panel of 57 kinases including serine kinases, nonreceptor tyrosine kinases, receptor tyrosine kinases, and the p38γ and δ isoforms. It is a weak inhibitor of CYP3A4, with an IC50 value ranging from 18 to 40 μM based in multiple tests. It does not significantly inhibit cytochrome P450 isozymes 1A2, 2C9, 2C19, and 2D6 in vitro. It exhibited oral bioavailability values of 90% and 60% in mice and rats, respectively. It is currently under Phase II clinical trials for the treatment of inflammatory diseases. (BOC Sciences Bioactive Compounds)
DESCRIPTION BMS582949 is a potent and selective P38 mitogen-activated protein kinase (P38 MAPK) inhibitor with IC50 value of 13nM, which plays a crucial role in regulating the biosynthesis of many inflammatory cytokines including TNFα and IL-1β. It is used for the treatment of rheumatoid arthritis. It was developed by Bristol-Myers Squibb and was in clinic phase 2 trials, but now it is terminated. (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
0
Compound Sets
15
AdooQ Bioactive Compound Library
A13563
Axon Medchem Screening Library
2856
BOC Sciences Bioactive Compounds
bms582949-cas-623152-17-0-item-476050
bms-582949-hydrochloride-cas-912806-16-7-item-474905
Cayman Chemical Bioactives
22892
ChEMBL Drugs
CHEMBL1230065
Drug Repurposing Hub
DrugBank
DB12696
DrugMAP
DMGYXFP
Guide to Pharmacology
7838
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1230065
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL1230065
MedChem Express Bioactive Compound Library
HY-14305A
ReFrame library
Selleckchem Bioactive Compound Library
bms-582949
TargetMol Bioactive Compound Library
T6789
T3462
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
406.21
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
3.12
TPSA
100.42
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
MAPK
Autophagy
MAPK/ERK Pathway
Target
p38 MAPK
p38??
MOA
p38 MAPK inhibitor
Solubility
DMSO: > 35 mg/mL
Soluble in DMSO, not in water
Source data