Compound Detail
CHEMBL381149
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Basic Information
| ChEMBL ID | CHEMBL381149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNJFYVMPHWHMIT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
3.84
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 5.04 | 5.04 | 9200.0 | 2 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 4.91 | 4.91 | 12300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of 15-hLO | 16480270 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of human 15-lipoxygenase | 21739938 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of 12-hLO | 16480270 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of human platelet-type 12-lipoxygenase | 21739938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16480270 | 10.1021/jm050639j | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 16480270 | 10.1021/jm050639j | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 16480270 | 10.1021/jm050639j | No relevant target | 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