Compound Detail
CHEMBL5431161
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Basic Information
| ChEMBL ID | CHEMBL5431161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZYGWVLDEVWNOE-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
3.28
ALogP
6
HBA
2
HBD
91.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peritoneal macrophage CHEMBL5314330 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.2 | mL.min-1.g-1 | Homo sapiens |
| CL | 3.8 | mL.min-1.g-1 | Mus musculus |
| T1/2 | 3.725 | hr | Homo sapiens |
| T1/2 | 6.078 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peritoneal macrophage | IC50 | = | 65.0 | nM | 7.19 | Antiinflammatory activity against LPS-stimulated mouse peritoneal macrophage ass... | 36786612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36786612 | 10.1021/acs.jmedchem.2c01967 | Peritoneal macrophage | 6 |
| 36786612 | 10.1021/acs.jmedchem.2c01967 | NACHT, LRR and PYD domains-containing protein 3 | 6 |
| 36786612 | 10.1021/acs.jmedchem.2c01967 | Unchecked | 6 |
| 36786612 | 10.1021/acs.jmedchem.2c01967 | ADMET | 4 |
| 36786612 | 10.1021/acs.jmedchem.2c01967 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine