General
Preferred name
BMS-582949
Synonyms
BMS-582949 HCl ()
BMS 582949 ()
PS540446 ()
BMS-582949 (hydrochloride) ()
BMS-582949 hydrochloride ()
BMS582949 ()
PS-540446 ()
P&D ID
PD050860
CAS
623152-17-0
912806-16-7
Tags
available
drug candidate
Drug indication
psoriasis
Atherosclerosis
Psoriasis vulgaris
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)
PRICE 280
DESCRIPTION BMS-582949 hydrochloride is an orally active and highly selective p38¦Á MAPK inhibitor, with an IC50 of 13 nM. BMS-582949 hydrochloride displays a significantly improved pharmacokinetic profile and is effective in inflammatory disease[1].
PRICE 94
DESCRIPTION The BMS-582949 hydrochloride (BMS-582949 HCl) is a highly specific p38?? MAPK inhibitor (IC50: 13 nM).
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)
DESCRIPTION BMS-582949 is a potent and selective p38 mitogen-activated protein kinase (p38 MAPK) inhibitor with IC50 of 13 nM, inhibiting both p38 kinase activity and activation of p38. (TargetMol Bioactive Compound Library)
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 The BMS-582949 hydrochloride (BMS-582949 HCl) is a highly specific p38α MAPK inhibitor (IC50: 13 nM). (TargetMol Bioactive Compound Library)
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)
Target
p38 MAPK
p38α
Pathway
Autophagy
MAPK
MAPK/ERK Pathway
MOA
p38 MAPK inhibitor
Solubility
DMSO: > 35 mg/mL
Soluble in DMSO, not in water
Source data