Compound Detail
CHEMBL165682
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Basic Information
| ChEMBL ID | CHEMBL165682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOPVYNAAXAJXEV-IQTJLPEBSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.5
MW (Da)
5.48
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.14
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.81
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxoeicosanoid receptor 1 CHEMBL1628461 | EC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxoeicosanoid receptor 1 | EC50 | = | 1540.0 | nM | 5.81 | Agonist activity at human PK-tagged OXER1 expressed in CHOK1 cells assessed as E... | 29866479 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 20000.0 | nM | 4.7 | Inhibitory activity against 5-lipoxygenase | 6298421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6298421 | 10.1021/jm00355a015 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 29866479 | 10.1016/j.bmc.2018.05.036 | Oxoeicosanoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine