Compound Detail
CHEMBL484083
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CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(OC(=O)c1ccccc1)c1ccccc12
Basic Information
| ChEMBL ID | CHEMBL484083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYRNHCLMMHULHS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.9
MW (Da)
6.96
ALogP
4
HBA
1
HBD
68.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli ass... | 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