Compound Detail
CHEMBL123179
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Basic Information
| ChEMBL ID | CHEMBL123179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWFZKVHMFCNDEQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
3.34
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.38 | 5.38 | 4200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4200.0 | nM | 5.38 | Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic ... | 2104936 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of 5-lipoxygenase in Rattus norvegicus Rat basophil leukemia cells (R... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2104936 | 10.1021/jm00163a058 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2104936 | 10.1021/jm00163a058 | Cyclooxygenase | 1 |
| 2104936 | 10.1021/jm00163a058 | Mus musculus | 1 |
| - | 10.1007/s00044-013-0499-2 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine