Compound Detail
CHEMBL5184952
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 | CHEMBL5184952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRCJPDAMPOLGQC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL5222062 |
| Active Moiety | CHEMBL5222062 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.63
ALogP
5
HBA
3
HBD
108.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 9.64 | 9.64 | 0.2 | 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 | = | 0.23 | nM | 9.64 | Inhibition of NLRP3 inflammasome activation in LPS-primed mouse BMDM cells asses... | 35403430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35403430 | 10.1021/acs.jmedchem.2c00149 | NACHT, LRR and PYD domains-containing protein 3 | 10 |
| 35403430 | 10.1021/acs.jmedchem.2c00149 | Mus musculus | 9 |
| 35403430 | 10.1021/acs.jmedchem.2c00149 | J774.A1 | 3 |
| 35403430 | 10.1021/acs.jmedchem.2c00149 | AML12 | 1 |
| 35403430 | 10.1021/acs.jmedchem.2c00149 | Unchecked | 1 |
| 35403430 | 10.1021/acs.jmedchem.2c00149 | Interferon-inducible protein AIM2 | 1 |
| 35403430 | 10.1021/acs.jmedchem.2c00149 | NLR family CARD domain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine