Compound Detail
CHEMBL425166
JASPAQUINOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL425166 |
| Name | JASPAQUINOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUTRNQZRJBENDY-ZQYJZOSASA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
382.6
MW (Da)
7.62
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 6.52 | 5.62 | 300.0 | 2 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.35 | 4.865 | 4500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 300.0 | nM | 6.52 | Inhibitory concentration against isolated rabbit reticulocyte 15-lipoxygenase me... | 15713402 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of His-tagged human reticulocyte 15-lipoxygenase | 12608855 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV... | 19848434 |
| Unchecked | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of soybean 15-lipoxygenase | 12608855 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vi... | 19848434 |
| Unchecked | IC50 | = | 42000.0 | nM | 4.38 | Selectivity ratio of IC50 for human reticulocyte 15-lipoxygenase to IC50 for hum... | 19848434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12608855 | 10.1021/np020462l | Unchecked | 4 |
| 19848434 | 10.1021/np900465e | Unchecked | 2 |
| 15713402 | 10.1016/j.bmcl.2004.12.081 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 17346077 | 10.1021/np060633c | Staphylococcus epidermidis | 1 |
| 17346077 | 10.1021/np060633c | Bacillus subtilis | 1 |
| 17346077 | 10.1021/np060633c | Escherichia coli | 1 |
| 12608855 | 10.1021/np020462l | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 12608855 | 10.1021/np020462l | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 19848434 | 10.1021/np900465e | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 19848434 | 10.1021/np900465e | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 19848434 | 10.1021/np900465e | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
Data from ChEMBL 36 via Core Engine