Compound Detail
CHEMBL442334
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Basic Information
| ChEMBL ID | CHEMBL442334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKADLMFAUZHGIW-DEOSSOPVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.01
ALogP
6
HBA
0
HBD
53.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL5211 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1.6 | nM | 8.8 | Inhibition of 5-lipoxygenase from mouse macrophage | 8289184 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 410.0 | nM | 6.39 | Inhibitory concentration against 5-lipoxygenase from human whole blood | 8289184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8289184 | 10.1021/jm00027a014 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
Data from ChEMBL 36 via Core Engine