Compound Detail
CHEMBL5408252
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5408252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMJLBBBCUDVXIM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.18
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 8.1 | 7.74 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of NLRP3 inflammasome activation in LPS-activated human PBMC cells as... | 37874905 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 42.0 | nM | 7.38 | Inhibition of NLRP3 inflammasome activation in human whole blood assessed as inh... | 37874905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37874905 | 10.1021/acs.jmedchem.3c01398 | NACHT, LRR and PYD domains-containing protein 3 | 2 |
Data from ChEMBL 36 via Core Engine