Compound Detail
CHEMBL5423530
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Basic Information
| ChEMBL ID | CHEMBL5423530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYXWZQHGHRELLY-MRXNPFEDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.70
ALogP
5
HBA
2
HBD
101.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 7.18 | 6.255 | 66.0 | 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 | = | 66.0 | nM | 7.18 | Inhibition of NLRP3 inflammasome activation in LPS-activated human PBMC cells as... | 37874905 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of NLRP3 inflammasome activation in human whole blood assessed as inh... | 37874905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37874905 | 10.1021/acs.jmedchem.3c01398 | ADMET | 4 |
| 37874905 | 10.1021/acs.jmedchem.3c01398 | NACHT, LRR and PYD domains-containing protein 3 | 3 |
| 37874905 | 10.1021/acs.jmedchem.3c01398 | No relevant target | 1 |
| 37874905 | 10.1021/acs.jmedchem.3c01398 | Cytochrome P450 2C19 | 1 |
| 37874905 | 10.1021/acs.jmedchem.3c01398 | Cytochrome P450 1A2 | 1 |
| 37874905 | 10.1021/acs.jmedchem.3c01398 | Cytochrome P450 2C9 | 1 |
| 37874905 | 10.1021/acs.jmedchem.3c01398 | Cytochrome P450 2D6 | 1 |
| 37874905 | 10.1021/acs.jmedchem.3c01398 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine