Compound Detail
CHEMBL520317
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Basic Information
| ChEMBL ID | CHEMBL520317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWHYAZMYXGCWNU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
4.80
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.89 | 6.585 | 130.0 | 2 |
| Prostaglandin E synthase CHEMBL5658 | IC50 | 6.22 | 6.22 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli ass... | 19492852 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 520.0 | nM | 6.28 | Inhibition of 5-lipoxygenase in A-23817-challenged human neutrophils assessed as... | 19492852 |
| Prostaglandin E synthase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of mPGES1 in IL1-beta induced human A549 cell microsomal membrane ass... | 19884011 |
| Prostaglandin E synthase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membrane... | 26088337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19884011 | 10.1016/j.bmc.2009.10.025 | Prostaglandin E synthase | 3 |
| 19492852 | 10.1021/jm900212y | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 19884011 | 10.1016/j.bmc.2009.10.025 | Prostaglandin G/H synthase 1 | 1 |
| 19884011 | 10.1016/j.bmc.2009.10.025 | Prostaglandin G/H synthase 2 | 1 |
| 26088337 | 10.1016/j.bmc.2015.05.045 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine