Compound Detail
CHEMBL3188223
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Basic Information
| ChEMBL ID | CHEMBL3188223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVWWTCSJLGHLRM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
368.8
MW (Da)
1.97
ALogP
4
HBA
2
HBD
98.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.49 | 5.49 | 3250.0 | 1 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 5.49 | 5.49 | 3250.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.0 | hr | Mus musculus |
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 | = | 3250.0 | nM | 5.49 | Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774A.1 cells as... | 31699536 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 3250.0 | nM | 5.49 | Inhibition of NLRP3 (unknown origin) assessed as reduction of IL-1beta productio... | 37879043 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 3250.0 | nM | 5.49 | Inhibition of NLRP3 in mouse J774A.1 cells assessed as reduction in LPS/ATP stim... | 37639823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26422006 | 10.1021/acs.jmedchem.5b01091 | Mus musculus | 1 |
| 31699536 | 10.1016/j.ejmech.2019.111822 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
| 37879043 | 10.1021/acs.jmedchem.3c01370 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
| 37879043 | 10.1021/acs.jmedchem.3c01370 | No relevant target | 1 |
| 37639823 | 10.1016/j.ejmech.2023.115750 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine