Compound Detail
CHEMBL1213616
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Basic Information
| ChEMBL ID | CHEMBL1213616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLHRSZWXUZQJPE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.71
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of LOX5 in human whole blood assessed as inhibition of conversion of ... | 19561619 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of 5-LOX | 22537178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19561619 | 10.1038/nchembio.188 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 22537178 | 10.1021/jm300288g | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine