Compound Detail
CHEMBL465025
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Basic Information
| ChEMBL ID | CHEMBL465025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFDANOZEVFTUOG-VQHVLOKHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.30
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of cyclooxygenase in rat RBL1 cells | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of 5-lipoxygenase in rat RBL1 cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18517185 | 10.1021/jm800221g | No relevant target | 4 |
| 18584918 | 10.1016/j.ejmech.2008.05.010 | Staphylococcus aureus | 2 |
| 18517185 | 10.1021/jm800221g | BV-2 | 2 |
| 17067159 | 10.1021/np060252z | KB | 2 |
| 19640715 | 10.1016/j.bmcl.2009.07.082 | Unchecked | 2 |
| 30106292 | 10.1021/acs.jmedchem.8b00657 | Stromal cell-derived factor 1 | 2 |
| 18584918 | 10.1016/j.ejmech.2008.05.010 | Escherichia coli | 1 |
| 18517185 | 10.1021/jm800221g | NON-PROTEIN TARGET | 1 |
| 17067159 | 10.1021/np060252z | A549 | 1 |
| - | 10.1007/s00044-013-0745-7 | Cyclooxygenase | 1 |
| - | 10.1007/s00044-013-0745-7 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 24703232 | 10.1016/j.bmcl.2014.03.030 | No relevant target | 1 |
| 30106292 | 10.1021/acs.jmedchem.8b00657 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine