Compound Detail
CHEMBL4278966
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Basic Information
| ChEMBL ID | CHEMBL4278966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVJMBZPPJPIYMZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
489.0
MW (Da)
3.81
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 6.44 | 6.41 | 360.0 | 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 | = | 360.0 | nM | 6.44 | Inhibition of NLRP3 in mouse BMDM assessed as reduction in LPS-stimulated IL-1be... | 29877709 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 420.0 | nM | 6.38 | 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 | 2 |
| 29877709 | 10.1021/acs.jmedchem.8b00733 | NLR family CARD domain-containing protein 4 | 1 |
| 29877709 | 10.1021/acs.jmedchem.8b00733 | Interferon-inducible protein AIM2 | 1 |
| 29877709 | 10.1021/acs.jmedchem.8b00733 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine