Compound Detail
CHEMBL5589744
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Basic Information
| ChEMBL ID | CHEMBL5589744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWFLUALOSACUKM-XVNBXDOJSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.9
MW (Da)
3.33
ALogP
4
HBA
3
HBD
72.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 6.05 | 5.8767 | 900.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 900.0 | nM | 6.05 | Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibi... | 37976711 |
| RAW264.7 | IC50 | = | 1520.0 | nM | 5.82 | Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as reduct... | 37976711 |
| RAW264.7 | IC50 | = | 1730.0 | nM | 5.76 | Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as reduct... | 37976711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37976711 | 10.1016/j.ejmech.2023.115936 | Mus musculus | 32 |
| 37976711 | 10.1016/j.ejmech.2023.115936 | RAW264.7 | 13 |
| 37976711 | 10.1016/j.ejmech.2023.115936 | Unchecked | 5 |
Data from ChEMBL 36 via Core Engine