Compound Detail
CHEMBL20905
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Basic Information
| ChEMBL ID | CHEMBL20905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJLAYSLRHDWPBU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
6.18
ALogP
4
HBA
0
HBD
31.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.22 | 6.22 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of 5-lipoxygenase from human whole blood | 8289184 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of 5-lipoxygenase in human whole blood. | 1648621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8289184 | 10.1021/jm00027a014 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 1648621 | 10.1021/jm00111a038 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine