Compound Detail
CHEMBL70054
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Basic Information
| ChEMBL ID | CHEMBL70054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSWBEJZSPDPBFG-JXMROGBWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
4.88
ALogP
4
HBA
1
HBD
42.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL5211 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of 5-lipoxygenase in mouse macrophages. | 1648621 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of 5-lipoxygenase in human whole blood. | 1648621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1648621 | 10.1021/jm00111a038 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
Data from ChEMBL 36 via Core Engine