Compound Detail
CHEMBL4294115
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4294115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHDOQJSIJLUTET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
4.12
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 | 5.68 | 2080.0 | 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 | = | 2080.0 | nM | 5.68 | Inhibition of NLRP3 in mouse J774A.1 cells assessed as reduction in LPS-stimulat... | 29877709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29877709 | 10.1021/acs.jmedchem.8b00733 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine