Compound Detail
CHEMBL5422139
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Basic Information
| ChEMBL ID | CHEMBL5422139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFARYYOHBACYLM-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.9
MW (Da)
4.45
ALogP
6
HBA
2
HBD
74.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
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 |
| THP-1 CHEMBL614245 | 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 pyroptosis pre... | 37465294 |
| THP-1 | IC50 | = | 0.4 | nM | 9.4 | Induction of pyroptosis in human THP-1 cells by AlphaLisa assay | 37879043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37465294 | 10.1021/acsmedchemlett.3c00236 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
| 37879043 | 10.1021/acs.jmedchem.3c01370 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine