Compound Detail
CHEMBL4846605
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Basic Information
| ChEMBL ID | CHEMBL4846605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHRSDLZWVTXEOY-RUDMXATFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
4.63
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 5.68 | 5.555 | 2100.0 | 2 |
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 | = | 2100.0 | nM | 5.68 | Inhibition of NLRP3 in mouse J774A.1 cells infected with FLA-ST assessed as inhi... | 33845232 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 3670.0 | nM | 5.43 | Inhibition of NLRP3 inflammasome activation in mouse J774.A1 cells assessed as r... | 38283225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33845232 | 10.1016/j.ejmech.2021.113417 | ADMET | 2 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | HEK-293T | 1 |
| 38283225 | 10.1039/d3md00451a | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine