Compound Detail
CHEMBL5404399
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CCCNS(=O)(=O)c1ccc2c(c1)CC(N(Cc1cc(Cl)ccc1OCCOC)C(=O)/C=C\c1ccc(O)c(OC)c1)C2
Basic Information
| ChEMBL ID | CHEMBL5404399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKRDEEVGQNHAOL-SDQBBNPISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
629.2
MW (Da)
4.98
ALogP
7
HBA
2
HBD
114.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 6.3 | 6.3 | 500.0 | 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 | = | 500.0 | nM | 6.3 | Inhibition of NLRP3 inflammasome in mouse JJ74.A1 cells assessed as inhibition o... | 38029358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38029358 | 10.1021/acs.jmedchem.3c01511 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine