Compound Detail
CHEMBL230922
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Basic Information
| ChEMBL ID | CHEMBL230922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCVYHMWMEKYBSQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
410.9
MW (Da)
4.83
ALogP
3
HBA
0
HBD
34.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 950.0 | nM | 6.02 | Inhibition of 5-LOX in rat peritoneal leukocytes | 17336065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17336065 | 10.1016/j.bmcl.2007.02.038 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
Data from ChEMBL 36 via Core Engine