Compound Detail
CHEMBL79453
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Basic Information
| ChEMBL ID | CHEMBL79453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDTTUYIDOKHDHR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.03
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.85 | 4.85 | 14200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 14200.0 | nM | 4.85 | The compound was tested for inhibitory activity against 5-lipoxygenase in rat po... | 1635053 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 14200.0 | nM | 4.85 | Concentration for 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and T... | 2104935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2104935 | 10.1021/jm00163a039 | Cavia porcellus | 12 |
| 1635053 | 10.1021/jm00092a001 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 1635053 | 10.1021/jm00092a001 | Cavia porcellus | 1 |
| 2104935 | 10.1021/jm00163a039 | Cysteinyl leukotriene receptor | 1 |
| 2104935 | 10.1021/jm00163a039 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2104935 | 10.1021/jm00163a039 | Cyclooxygenase | 1 |
| 2104935 | 10.1021/jm00163a039 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine