Compound Detail
CHEMBL73148
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Basic Information
| ChEMBL ID | CHEMBL73148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YANONWCPCKIWEC-CABCVRRESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
1.92
ALogP
4
HBA
2
HBD
85.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.93 | 6.93 | 117.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 117.0 | nM | 6.93 | In vitro inhibitory activity against 5-lipoxygenase in a human whole blood assay | 15081022 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 117.0 | nM | 6.93 | Inhibition constant against arachidonate 5-lipoxygenase | 16220969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081022 | 10.1016/j.bmcl.2004.02.005 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 16220969 | 10.1021/jm058225d | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine