Compound Detail
CHEMBL184398
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Basic Information
| ChEMBL ID | CHEMBL184398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYBOEVJIVYIEJL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
465.0
MW (Da)
5.71
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 5.3 | 5.23 | 5000.0 | 2 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 5.3 | 5.23 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 5000.0 | nM | 5.3 | Inhibitory effect on human reticulocyte 15-lipoxygenase | 15267244 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human platelet-type 12-lipoxygenase | 21739938 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory effect on human platelet 12-lipoxygenase | 15267244 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human 15-lipoxygenase | 21739938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15267244 | 10.1021/jm049872s | No relevant target | 1 |
| 15267244 | 10.1021/jm049872s | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 15267244 | 10.1021/jm049872s | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 15267244 | 10.1021/jm049872s | Unchecked | 1 |
| 21739938 | 10.1021/jm2005089 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 21739938 | 10.1021/jm2005089 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
Data from ChEMBL 36 via Core Engine