Compound Detail
CHEMBL362978
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Basic Information
| ChEMBL ID | CHEMBL362978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIIMIHGRUTXXBD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
4.22
ALogP
4
HBA
1
HBD
57.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 270.0 | nM | 6.57 | Inhibition of 5-lipoxygenase mediated LTB4 synthesis in A-23187 simulated human ... | 15863327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863327 | 10.1016/j.bmcl.2005.03.041 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
Data from ChEMBL 36 via Core Engine