Compound Detail
CHEMBL4795130
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Basic Information
| ChEMBL ID | CHEMBL4795130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUULATIXSCXERO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.35
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.8 | 5.38 | 1600.0 | 3 |
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 | = | 1600.0 | nM | 5.8 | Inhibition of NLRP3 in human PBMC cells assessed as inhibition of LPS and ATP-in... | 32956781 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of NLRP3 inflammasome activation in LPS-activated human PBMC cells as... | 37874905 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 29000.0 | nM | 4.54 | 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 | 3 |
| 32956781 | 10.1016/j.bmcl.2020.127560 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine