Compound Detail
CHEMBL36649
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Basic Information
| ChEMBL ID | CHEMBL36649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXYJIJRAAWHSIH-OQLLNIDSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
2.58
ALogP
6
HBA
2
HBD
103.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 12-lipoxygenase CHEMBL2741 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B CHEMBL3289 | IC50 | 5.41 | 5.41 | 3930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 12-lipoxygenase | IC50 | = | 470.0 | nM | 6.33 | Inhibitory activity against 12-lipoxygenase in rat platelet rich plasma | 2016727 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B | IC50 | = | 3930.0 | nM | 5.41 | Inhibitory activity against 15-lipoxygenase in rat polymorphonuclear leukocytes | 2016727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine