Compound Detail
CHEMBL5414596
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 | CHEMBL5414596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGHBRFNKKNQTOB-LLVKDONJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
4.39
ALogP
5
HBA
2
HBD
61.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Interleukin-1 beta CHEMBL1909490 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
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 | = | 0.4 | nM | 9.4 | Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta produ... | 37879043 |
| Interleukin-1 beta | IC50 | = | 0.4 | nM | 9.4 | IL-1 Secretion Assa: Monocytic THP-1 cells (ATCC: TIB-202) were maintained accor... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37879043 | 10.1021/acs.jmedchem.3c01370 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine