Compound Detail
CHEMBL490656
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Basic Information
| ChEMBL ID | CHEMBL490656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQKLMAZXCPRECG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.8
MW (Da)
5.45
ALogP
3
HBA
2
HBD
62.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.08 | 6.5 | 84.0 | 2 |
| Prostaglandin E synthase CHEMBL5658 | 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 | = | 84.0 | nM | 7.08 | Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli ass... | 19492852 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of 5-lipoxygenase in A-23817-challenged human neutrophils assessed as... | 19492852 |
| Prostaglandin E synthase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of mPGES1 in IL1-beta induced human A549 cell microsomal membrane ass... | 19884011 |
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 |
Data from ChEMBL 36 via Core Engine