Compound Detail
CHEMBL17775
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Basic Information
| ChEMBL ID | CHEMBL17775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLETVOYHEXEYPG-XTDASVJISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
5.44
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 29000.0 | nM | 4.54 | In vitro inhibitory activity against 5-lipoxygenase from rat basophilic leukemia... | 3599023 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against 5-lipoxygenase | 6298421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6298421 | 10.1021/jm00355a015 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 3599023 | 10.1021/jm00390a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine