Compound Detail
CHEMBL2165863
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Basic Information
| ChEMBL ID | CHEMBL2165863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMWNDTVHTNHYFX-WQRHYEAKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
4.84
ALogP
3
HBA
0
HBD
38.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incu... | 22380511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22380511 | 10.1021/jm201497k | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 22380511 | 10.1021/jm201497k | Leukotriene A-4 hydrolase | 1 |
Data from ChEMBL 36 via Core Engine