Compound Detail
CHEMBL4438030
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C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCCCC)C(=O)Cc2ccsc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4438030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYJBAUAYOPVQBC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
573.2
MW (Da)
5.70
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 6.33 | 6.33 | 470.0 | 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 | = | 470.0 | nM | 6.33 | Inhibition of NLRP3 in mouse J774A.1 cells assessed as inhibition of LPS and ATP... | 31626545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31626545 | 10.1021/acs.jmedchem.9b01155 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine