Compound Detail
CHEMBL422751
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Basic Information
| ChEMBL ID | CHEMBL422751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCCIWBSBPMCVDG-CVWBSBFRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.6
MW (Da)
6.44
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.15
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory activity against 5-lipoxygenase expressed from human polymorphonuclea... | 2319562 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of 5-lipoxygenase in rat RBL-1 cells | 2319562 |
| Mus musculus | IC50 | = | 22000.0 | nM | 4.66 | In vitro inhibition of zymosan stimulated release of Leukotriene C4 from intact ... | 2319562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2319562 | 10.1021/jm00166a013 | Unchecked | 5 |
| 2319562 | 10.1021/jm00166a013 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 2319562 | 10.1021/jm00166a013 | Mus musculus | 2 |
| 2319562 | 10.1021/jm00166a013 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine