Compound Detail
CHEMBL5431968
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Basic Information
| ChEMBL ID | CHEMBL5431968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSRJFTLOEAHIKN-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
4.47
ALogP
5
HBA
2
HBD
61.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 8.27 | 8.27 | 5.3 | 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 | = | 5.32 | nM | 8.27 | Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta produ... | 37879043 |
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