Compound Detail
CHEMBL4458075
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Basic Information
| ChEMBL ID | CHEMBL4458075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTICWTQVCACDPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
4.37
ALogP
2
HBA
3
HBD
51.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1420.0 | nM | 5.85 | Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21(DE3) as... | 36318728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31815462 | 10.1021/acs.jmedchem.9b00796 | Potassium voltage-gated channel subfamily KQT member 2 | 2 |
| 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