Compound Detail
CHEMBL4862238
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Basic Information
| ChEMBL ID | CHEMBL4862238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDQOIMCGWUUIRX-BJMVGYQFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
4.03
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 5.89 | 5.89 | 1300.0 | 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 | = | 1300.0 | nM | 5.89 | Inhibition of NLRP3 in mouse J774A.1 cells infected with FLA-ST assessed as inhi... | 33845232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33845232 | 10.1016/j.ejmech.2021.113417 | NACHT, LRR and PYD domains-containing protein 3 | 8 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | J774.A1 | 5 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | Mus musculus | 5 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | ADMET | 2 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | Unchecked | 2 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | HEK-293T | 1 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | Interferon-inducible protein AIM2 | 1 |
| 33845232 | 10.1016/j.ejmech.2021.113417 | NLR family CARD domain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine