Compound Detail
CHEMBL186858
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Basic Information
| ChEMBL ID | CHEMBL186858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAXWFCTVSHEODL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
251.9
MW (Da)
2.92
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 34000.0 | nM | 4.47 | Inhibitory effect on human reticulocyte 15-lipoxygenase | 15267244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15267244 | 10.1021/jm049872s | No relevant target | 1 |
| 15267244 | 10.1021/jm049872s | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 15267244 | 10.1021/jm049872s | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 15267244 | 10.1021/jm049872s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine