Compound Detail
CHEMBL5191521
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Basic Information
| ChEMBL ID | CHEMBL5191521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUZAEKCDHRNCBE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.90
ALogP
3
HBA
3
HBD
64.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.64 | 5.64 | 2290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2290.0 | nM | 5.64 | Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21(DE3) as... | 36318728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36318728 | 10.1021/acs.jmedchem.2c00817 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 36318728 | 10.1021/acs.jmedchem.2c00817 | Bifunctional epoxide hydrolase 2 | 1 |
Data from ChEMBL 36 via Core Engine