Compound Detail
CHEMBL4862125
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CCCCc1oc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
Basic Information
| ChEMBL ID | CHEMBL4862125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYDURBMNGIQFMM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
648.9
MW (Da)
8.49
ALogP
7
HBA
1
HBD
98.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 4.55 | 4.55 | 27900.0 | 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 | = | 27900.0 | nM | 4.55 | Inhibition of NLRP3 inflammasome in LPS-primed mouse J774.A1 cells assessed as r... | 34062252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34062252 | 10.1016/j.bmcl.2021.128160 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine