Compound Detail
CHEMBL5401581
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COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5401581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRNWQCSMWIKTLZ-WXQAMHPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.42
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 5.96 | 5.96 | 1090.0 | 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 | = | 1090.0 | nM | 5.96 | Inhibition of NLRP3 inflammasome activation in mouse J774.A1 cells assessed as r... | 38283225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38283225 | 10.1039/d3md00451a | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine