Compound Detail
CHEMBL4537850
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Basic Information
| ChEMBL ID | CHEMBL4537850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHGHXDGWPNMNBM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.5
MW (Da)
3.47
ALogP
4
HBA
0
HBD
8.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peritoneal macrophage CHEMBL5314330 | IC50 | 7.85 | 7.455 | 14.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peritoneal macrophage | IC50 | = | 14.1 | nM | 7.85 | Antiinflammatory activity in C57BL/6J mouse Primary peritoneal macrophages asses... | 30909020 |
| Peritoneal macrophage | IC50 | = | 87.4 | nM | 7.06 | Antiinflammatory activity in C57BL/6J mouse Primary peritoneal macrophages asses... | 30909020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30909020 | 10.1016/j.ejmech.2019.03.022 | Peritoneal macrophage | 7 |
Data from ChEMBL 36 via Core Engine