Compound Detail
CHEMBL329014
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Basic Information
| ChEMBL ID | CHEMBL329014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIWKTEZCENBYJG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.5
MW (Da)
4.53
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of rat basophilic leukemia-1 (RBL-1) 5-lipoxygenase | 3806609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806609 | 10.1021/jm00385a005 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine