Compound Detail
CHEMBL126669
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Basic Information
| ChEMBL ID | CHEMBL126669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZCFLOPLJCNJKN-GQCTYLIASA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.70
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 8.38 | 8.38 | 4.2 | 2 |
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Arginase-1 CHEMBL1075060 | IC50 | 3.99 | 3.99 | 102000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4.2 | nM | 8.38 | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined | 8254620 |
| Cyclooxygenase | IC50 | = | 4.2 | nM | 8.38 | Inhibition of cyclooxygenase in rat RBL1 cells | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4.2 | nM | 8.38 | Inhibition of 5-lipoxygenase in rat RBL1 cells | - |
| Xanthine dehydrogenase/oxidase | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric... | 26762836 |
| Arginase-1 | IC50 | = | 102000.0 | nM | 3.99 | Inhibition of bovine liver arginase 1 using L-arginine as substrate incubated fo... | 38784454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254620 | 10.1021/jm00076a019 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8254620 | 10.1021/jm00076a019 | Unchecked | 1 |
| 8254620 | 10.1021/jm00076a019 | Rattus norvegicus | 1 |
| - | 10.1007/s00044-013-0745-7 | Cyclooxygenase | 1 |
| - | 10.1007/s00044-013-0745-7 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | Xanthine dehydrogenase/oxidase | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | No relevant target | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | NON-PROTEIN TARGET | 1 |
| 38784454 | 10.1039/d3md00713h | Arginase-1 | 1 |
Data from ChEMBL 36 via Core Engine