Compound Detail
CHEMBL415963
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Basic Information
| ChEMBL ID | CHEMBL415963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNTDUNKOIYGMAY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.83
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Arachidonate 12-lipoxygenase CHEMBL2741 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of polymorphonuclear leukocyte derived human 5-lipoxygenase | 2502629 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 300.0 | nM | 6.52 | In vitro inhibition of rat polymorphonuclear leukocyte 5-lipoxygenase | 2502629 |
| Arachidonate 12-lipoxygenase | IC50 | = | 10000.0 | nM | 5.0 | In vitro inhibition of rat platelet 12-lipoxygenase | 2502629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2502629 | 10.1021/jm00128a027 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 2502629 | 10.1021/jm00128a027 | Arachidonate 12-lipoxygenase | 1 |
| 2502629 | 10.1021/jm00128a027 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine