Compound Detail
CHEMBL166844
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Basic Information
| ChEMBL ID | CHEMBL166844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFUAHIKHBFPNJL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
2.63
ALogP
2
HBA
3
HBD
61.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2900.0 | nM | 5.54 | Inhibitory activity against 5-lipoxygenase catalysis (5-LO) in sonicated rat bas... | 9057869 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 23000.0 | nM | 4.64 | Inhibitory activity against 5-lipoxygenase in Human whole blood (HWBL) stimulate... | 9057869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057869 | 10.1021/jm9606150 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 9057869 | 10.1021/jm9606150 | Prostaglandin G/H synthase 1 | 1 |
| 9057869 | 10.1021/jm9606150 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine