Compound Detail
CHEMBL314941
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Basic Information
| ChEMBL ID | CHEMBL314941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSUNJYSTLUFMFV-AOOOYVTPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.3
MW (Da)
4.87
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Seed linoleate 13S-lipoxygenase-1 CHEMBL4586 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 65.0 | nM | 7.19 | Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO) | 12036375 |
| Seed linoleate 13S-lipoxygenase-1 | IC50 | = | 65.0 | nM | 7.19 | Inhibitory activity against soybean 1-lipoxygenase (SLO) | 12036375 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 360.0 | nM | 6.44 | Inhibitory activity against human platelet 12-lipoxygenase (12-HLO) | 12036375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036375 | 10.1021/jm0201262 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 12036375 | 10.1021/jm0201262 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 12036375 | 10.1021/jm0201262 | Seed linoleate 13S-lipoxygenase-1 | 1 |
Data from ChEMBL 36 via Core Engine