Compound Detail
CHEMBL483884
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CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2cc(-c3ccc(-c4ccccc4)cc3)c(O)cc12
Basic Information
| ChEMBL ID | CHEMBL483884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWQHMKJWBGSHBA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.0
MW (Da)
7.63
ALogP
3
HBA
2
HBD
62.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.48 | 6.015 | 330.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli ass... | 19492852 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of 5-lipoxygenase in A-23817-challenged human neutrophils assessed as... | 19492852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19492852 | 10.1021/jm900212y | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
Data from ChEMBL 36 via Core Engine