Compound Detail
CHEMBL37141
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Basic Information
| ChEMBL ID | CHEMBL37141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGHYFEJMJXGPGN-UYHGDYIZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
3.26
ALogP
5
HBA
2
HBD
90.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 12-lipoxygenase CHEMBL2741 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B CHEMBL3289 | IC50 | 5.48 | 5.48 | 3330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 12-lipoxygenase | IC50 | = | 63.0 | nM | 7.2 | Inhibitory activity against 12-lipoxygenase in rat platelet rich plasma | 2016727 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1890.0 | nM | 5.72 | Inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes | 2016727 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B | IC50 | = | 3330.0 | nM | 5.48 | Inhibitory activity against 15-lipoxygenase in rat polymorphonuclear leukocytes | 2016727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26588045 | 10.1021/acs.jmedchem.5b00671 | Potassium channel subfamily K member 2 | 5 |
| 24561669 | 10.1016/j.ejmech.2014.01.049 | Mus musculus | 4 |
| 28051863 | 10.1021/acs.jmedchem.6b01285 | Mus musculus | 3 |
| 24561669 | 10.1016/j.ejmech.2014.01.049 | Potassium channel subfamily K member 2 | 2 |
| 28051863 | 10.1021/acs.jmedchem.6b01285 | Potassium channel subfamily K member 2 | 2 |
| 2016727 | 10.1021/jm00108a039 | Arachidonate 12-lipoxygenase | 1 |
| 2016727 | 10.1021/jm00108a039 | Polyunsaturated fatty acid lipoxygenase ALOX15B | 1 |
| 2016727 | 10.1021/jm00108a039 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 24871899 | 10.1016/j.ejmech.2014.05.033 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 24871899 | 10.1016/j.ejmech.2014.05.033 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 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