General
Preferred name
BMS-688521
Synonyms
CHEMBL1098726 ()
BMS 688521 ()
P&D ID
PD063263
CAS
893397-44-9
Tags
available
probe
Probe info
Probe type
calculated probe
Probe sources
Tool Compound Set
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
1
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-688521 is a highly potent, orally active inhibitor of the LFA-1/ICAM interaction, with an IC50 of 2.5 nM in the adhesion assay and an IC50 of 60 nM in the MLR assay. BMS-688521 is efficacious in a mouse allergic eosinophilic lung inflammation model[1].
PRICE
715
DESCRIPTION
BMS 688521 is a small molecule antagonist of leukocyte function associated antigen-1 (LFA-1). It has provided proof-of-concept for LFA-1 as an immunological target. BMS 688521 is a potent inhibitor of the LFA-1/ICAM-1 interaction (IC50 values are 2.5 and 78 nM in HUVEC adhesion and mouse specific adhesion assays respectively), which inhibits eosinophil accumulation in the lungs in a mouse allergic eosinophilic lung inflammation model.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
BMS-688521 BMS-688521 is an orally active and potent inhibitor of LFA-1/ICAM interaction, a small molecule antagonist of leukocyte function-associated antigen-1 (LFA-1), with potential anti-inflammatory activity.
(TargetMol Bioactive Compound Library)
DESCRIPTION
Pan Jumonji inhibitor; active in vivo
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
BOC Sciences Bioactive Compounds
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
ReFrame library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tool Compound Set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Molecular Weight
535.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
3
cLogP
4.4
TPSA
117.84
Fraction CSP3
0.19
Chiral centers
2.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Leukocyte adhesion glycoprotein LFA-1 alpha
LFA-1
ICAM-1
ICAM1
Integrin
Primary Target
Integrins
MOA
Inhibitor
ICAM1 antagonist, leukocyte function-associated antigen receptor antagonist
Pathway
Cytoskeletal Signaling
cytoskeleton
Solubility
Soluble in DMSO.
Source data
