General
Preferred name
BAY-524
Synonyms
P&D ID
PD046726
CAS
1445830-39-6
Tags
available
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 BAY-524 is a potent Bub1 kinase inhibitor. BAY-524 inhibits the recombinant catalytic domain of human Bub1 with an IC50 of 450 nM. BAY-524 can be used for the research of anti-cancer in combination with other agents[1].
PRICE 321
DESCRIPTION BAY-524 is a Bub1 kinase inhibitor and can be used as a tool compound for investigating Bub1 kinase function.
Using a high-throughput screening approach, the compound (renamed as enterololin) has been identified as a narrow-spectrum Gram-negative antibacterial with specific activity against Enterobacteriaceae spp., while selectively sparing Gram-negative and Gram-positive commensal strains . Generative AI was used to predict the bacterial MOA, with subsequent experimental validation confirming that BAY-524 targets LolCDE , a complex that is essential for the transport of lipoproteins from the inner membrane to the outer membrane of Gram-negative bacteria. (GtoPdb)
DESCRIPTION BAY-524 is an inhibitor of Bub1(IC50 = 450 nM.human Bub1 in the presence of 2 mM ATP). (TargetMol Bioactive Compound Library)
Compound Sets
3
Guide to Pharmacology
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
482.19
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
1
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
4
cLogP
4.53
TPSA
96.21
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
BUB1 kinase
Ser/Thr Kinase
Pathway
Metabolic Enzyme/Protease
Source data