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Assay Detail

CHEMBL5374759

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of NLRP3 inflammasome activation in human whole blood assessed as inhibition of LPS/ATP induced IL-1beta secretion preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with ATP for 60 mins by ELISA
36
Total Activities
36
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Tissue Blood
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

NACHT, LRR and PYD domains-containing protein 3 (CHEMBL1741208)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of Clinical Candidate NT-0796, a Brain-Penetrant and Highly Potent NLRP3 Inflammasome Inhibitor for Neuroinflammatory Disorders.
Harrison D, Billinton A, Bock MG, Doedens JR, Gabel CA, Holloway MK, Porter RA, Reader V, Scanlon J, Schooley K, Watt AP.
J Med Chem (2023) 66 : 14897 -14911
PubMed 37874905 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 36 6.23 8.30

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5408007 1 8.30
CHEMBL5403928 1 8.22
CHEMBL5409389 NT-0796 1.0 1 8.15
CHEMBL5423228 1 7.89
CHEMBL5438164 1 7.89
CHEMBL5423220 1 7.70
CHEMBL5411537 1 7.64
CHEMBL5427865 1 7.48
CHEMBL5408252 1 7.38
CHEMBL5399814 1 6.85
CHEMBL4780624 1 6.80
CHEMBL5407505 1 6.00
CHEMBL5420080 1 5.96
CHEMBL5427193 1 5.89
CHEMBL5440114 1 5.85
CHEMBL5432079 1 5.77
CHEMBL5436264 1 5.62
CHEMBL5404989 1 5.54
CHEMBL3183703 1 5.54
CHEMBL5417052 1 5.41
CHEMBL5423530 1 5.33
CHEMBL5426519 1 5.26
CHEMBL5424149 1 5.17
CHEMBL5432654 1 5.04
CHEMBL5406685 1 5.03
CHEMBL5402869 1 4.89
CHEMBL5433230 1 4.72
CHEMBL5409945 1 4.72
CHEMBL4795130 1 4.54
CHEMBL5422068 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5408007 IC50 = 5.0 nM 8.30
CHEMBL5403928 IC50 = 6.0 nM 8.22
CHEMBL5409389 NT-0796 IC50 = 7.0 nM 8.15
CHEMBL5423228 IC50 = 13.0 nM 7.89
CHEMBL5438164 IC50 = 13.0 nM 7.89
CHEMBL5423220 IC50 = 20.0 nM 7.70
CHEMBL5411537 IC50 = 23.0 nM 7.64
CHEMBL5427865 IC50 = 33.0 nM 7.48
CHEMBL5408252 IC50 = 42.0 nM 7.38
CHEMBL5399814 IC50 = 140.0 nM 6.85
CHEMBL4780624 IC50 = 160.0 nM 6.80
CHEMBL5407505 IC50 = 1000.0 nM 6.00
CHEMBL5420080 IC50 = 1100.0 nM 5.96
CHEMBL5427193 IC50 = 1300.0 nM 5.89
CHEMBL5440114 IC50 = 1400.0 nM 5.85
CHEMBL5432079 IC50 = 1700.0 nM 5.77
CHEMBL5436264 IC50 = 2400.0 nM 5.62
CHEMBL3183703 IC50 = 2900.0 nM 5.54
CHEMBL5404989 IC50 = 2900.0 nM 5.54
CHEMBL5417052 IC50 = 3900.0 nM 5.41
CHEMBL5423530 IC50 = 4700.0 nM 5.33
CHEMBL5426519 IC50 = 5500.0 nM 5.26
CHEMBL5424149 IC50 = 6800.0 nM 5.17
CHEMBL5432654 IC50 = 9200.0 nM 5.04
CHEMBL5406685 IC50 = 9400.0 nM 5.03
CHEMBL5402869 IC50 = 13000.0 nM 4.89
CHEMBL5409945 IC50 = 19000.0 nM 4.72
CHEMBL5433230 IC50 = 19000.0 nM 4.72
CHEMBL4795130 IC50 = 29000.0 nM 4.54
CHEMBL5422068 IC50 > 20000.0 nM -
CHEMBL5416016 IC50 > 20000.0 nM -
CHEMBL5433625 IC50 > 20000.0 nM -
CHEMBL5420131 IC50 > 40000.0 nM -
CHEMBL5408441 IC50 > 40000.0 nM -
CHEMBL5397039 IC50 > 500.0 nM -
CHEMBL5408846 IC50 > 40000.0 nM -