Compound Detail
CHEMBL18054
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Basic Information
| ChEMBL ID | CHEMBL18054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEHBYKBWLQNHIY-QSKDUIFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.5
MW (Da)
5.66
ALogP
3
HBA
2
HBD
69.9
PSA (Ų)
0.11
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 11000.0 | nM | 4.96 | In vitro inhibitory activity against 5-lipoxygenase from rat basophilic leukemia... | 3599023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3599023 | 10.1021/jm00390a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine