Compound Detail
CHEMBL5421303
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Basic Information
| ChEMBL ID | CHEMBL5421303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZWSXJAUWNSSBZ-HUUCEWRRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
4.20
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 8.08 | 8.08 | 8.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.92 | 7.92 | 12.0 | 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 | = | 8.4 | nM | 8.08 | Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta produ... | 37879043 |
| Unchecked | IC50 | = | 12.0 | nM | 7.92 | Inhibition of IL-1beta release in PMA-differentiated/ LPS and nigericin stimulat... | 39169676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39169676 | 10.1021/acs.jmedchem.4c01341 | Unchecked | 3 |
| 37879043 | 10.1021/acs.jmedchem.3c01370 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
| 39169676 | 10.1021/acs.jmedchem.4c01341 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine