Compound Detail
CHEMBL5170803
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Basic Information
| ChEMBL ID | CHEMBL5170803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPRKZXRSIVTSOS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.98
ALogP
4
HBA
2
HBD
56.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.39 | 6.31 | 410.0 | 2 |
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.6 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 410.0 | nM | 6.39 | Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21(DE3) as... | 36318728 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of human recombinant sEH assessed as reduction in 6-methoxynaphthalde... | 36318728 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 590.0 | nM | 6.23 | Inhibition of 5-LOX in human PMNL assessed as reduction in all-trans isomers of ... | 36318728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36318728 | 10.1021/acs.jmedchem.2c00817 | Mus musculus | 13 |
| 36318728 | 10.1021/acs.jmedchem.2c00817 | Unchecked | 3 |
| 36318728 | 10.1021/acs.jmedchem.2c00817 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 36318728 | 10.1021/acs.jmedchem.2c00817 | Prostaglandin G/H synthase 2 | 2 |
| 36318728 | 10.1021/acs.jmedchem.2c00817 | Bifunctional epoxide hydrolase 2 | 1 |
| 36318728 | 10.1021/acs.jmedchem.2c00817 | Prostaglandin G/H synthase 1 | 1 |
| 36318728 | 10.1021/acs.jmedchem.2c00817 | J774 | 1 |
| 36318728 | 10.1021/acs.jmedchem.2c00817 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine