General
Preferred name
CY-09
Synonyms
CY 09 ()
CY09 ()
4-[[4-Oxo-2-thioxo-3-[3-(trifluoromethyl)benzyl]thiazolidin-5-ylidene]methyl]benzoic Acid ()
P&D ID
PD086503
CAS
1073612-91-5
Tags
available
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
CY-09 is a direct inhibitor of NLRP3 . The compound binds to the ATP-binding motif of NLRP3 and blocks its ATPase activity. As a result NLRP3 inflammasome assembly is suppressed resulting in an anti-inflammatory effect.
(GtoPdb)
DESCRIPTION
CY-09 is a selective and direct NLRP3 inflammasome inhibitor which directly targeted NLRP3 itself. It directly binds to the ATP-binding motif of NLRP3 NACHT domain and inhibits NLRP3 ATPase activity, resulting in the suppression of NLRP3 inflammasome assembly and activation.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
BOC Sciences Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Molecular Weight
423.02
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
2
cLogP
4.81
TPSA
57.61
Fraction CSP3
0.11
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
1
ene_rhod_A(235)
[#7]-1-[#6](=[#16])-[#16]-[#6](=[#6])-[#6]-1=[#8]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
NF-??b
NF-¦ÊB
Target
NLRP3
NOD-like Receptor (NLR)
MOA
NOD inhibitor
Source data
