Compound Detail
CHEMBL3416163
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Basic Information
| ChEMBL ID | CHEMBL3416163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLCVFPZABWBOOK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.92
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.75 | 5.8667 | 180.0 | 3 |
| Macrophage-expressed gene 1 protein CHEMBL3414409 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubat... | 25765759 |
| Macrophage-expressed gene 1 protein | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of mPGES1 in IL-1beta stimulated human A549 cell microsomal membranes... | 25765759 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction ... | 25765759 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction ... | 25765759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Polyunsaturated fatty acid 5-lipoxygenase | 3 |
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Macrophage-expressed gene 1 protein | 1 |
Data from ChEMBL 36 via Core Engine