JNJ-79883960 |
JNJ-79883960 : Inhibitor of NLRP3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| NLRP3 |
|
Inhibitor
up to 10 µM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
Tested some of the other 11 human inflammasomes: A panel of inflammasome triggers was used to look a ...
In Vitro Selectivity Assessment
Selectivity Assessment Description:
All analogs were clean in CEREP and DiscoverX kinase panel
Potency Cellular
In Vitro
NLRP3
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1038/s44321-024-00181-4
In Vivo Validations
Mouse
Dose: 1 mg/Kg IV, 5 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
0.96 IV, 1.56 PO h
Systemic clearance:
6.21 mL/min/Kg
Cmax:
314 nM PO
Tmax:
0.5 h PO
Bioavailability:
111%
Volume of Distribution at Steady-State:
0.236 L/Kg
DOI Reference: 10.1038/s44321-024-00181-4
Negative Control Compounds
canSAR7437562
Notes: JNJ-78832000: NLRP3 PBMC IL1β: IC50 < 20 µM; NLRP3 PBMC IL6: IC50 > 20 µM; NLRP3 PBMC TNFα: IC50 > 20 µM
Chemical Information
| Molecular Formula | C18H15F3N8O2 |
| SMILEs | CN(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(C(F)(F)F)cc12 |
| InChI | InChI=1S/C18H15F3N8O2/c1-27(2)16-12-7-10(18(19,20)21)3-4-11(12)17(31)28(26-16)8-15(30)23-13-5-6-14-24-22-9-29(14)25-13/h3-7,9H,8H2,1-2H3,(H,23,25,30) |
| Molecular weight | 432.13 Da |
| AlogP | 1.5576999999999996 |
| HBond acceptors | 10 |
| HBond donors | 1 |
| Atoms | 46 |