Compound Detail
CHEMBL58929
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Basic Information
| ChEMBL ID | CHEMBL58929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGSIGQQHMBKCKZ-FPYGCLRLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
4.04
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 4.91 | 4.91 | 12300.0 | 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 | = | 12300.0 | nM | 4.91 | Inhibition of NLRP3 in mouse J774A.1 cells infected with FLA-ST assessed as inhi... | 33845232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2113949 | 10.1021/jm00169a010 | Cyclooxygenase | 3 |
| 2113949 | 10.1021/jm00169a010 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine