General
Preferred name
BMS-345541
Synonyms
BMS 345541 ()
BMS345541 ()
BMS-345541 free base ()
IKK Inhibitor III ()
BMS-345541 hydrochloride ()
BMS-345541 (ditrifluoroacetate) ()
BMS-345541 (hydrochloride) ()
BMS 345541 trifluoroacetate salt ()
BMS 345541 (hydrochloride) ()
P&D ID
PD003529
CAS
445430-58-0
547757-23-3
445430-59-1
Tags
available
drug candidate
Drug indication
Arthritis
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
BMS-345541 is a selective allosteric inhibitor of both subunits (IKK-alpha and IKK-beta) of IκB kinase (IKK) . Has anti-inflammatory activity.
(GtoPdb)
DESCRIPTION
inhibitor of IKK-2
(Informer Set)
DESCRIPTION
BMS-345541 is a highly selective inhibitor of the catalytic subunits of IKK-2 and IKK-1 with IC50 of 0.3 μM and 4 μM, respectively.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Potent TLR7 agonist
(Tocris Bioactive Compound Library)
DESCRIPTION
Selective allosteric inhibitor of IKK; anti-inflammatory
(Tocriscreen Plus)
DESCRIPTION
BMS 345541 is a cell-permeable inhibitor of the IκB kinases IKKα with IC50s of 4 uM and IKKβ with IC50s of 0.3 µM, which binds at allosteric site of the enzyme and displays ~10-fold greater selectivity at IKK-2 over IKK-1. It exhibits no effect against a panel of 15 other kinases. BMS 345541 is used to explore novel roles for IKK phosphorylation and NF-κB signaling.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
11
Organisms
0
Compound Sets
20
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
EUbOPEN Chemogenomics Library
Guide to Pharmacology
Informer Set
LSP-MoA library (Laboratory of Systems Pharmacology)
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
Welcome Trust Cancer Drugs
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
43
Molecular Weight
255.15
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
1.87
TPSA
68.24
Fraction CSP3
0.29
Chiral centers
0.0
Largest ring
6.0
QED
0.75
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
IKBKB
IKK1
IKK2
I??/IKK
CHUK, IKBKB
IKK
I¦ÊB/IKK
Compound status
probe
Target Type
Enzymes
Pathway
NF-¦ÊB
NF-??b
NF-??
NF-κB
Primary Target
I?B Kinase
MOA
Inhibitor
IKK inhibitor
Source data
