Compound Detail
CHEMBL146730
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Basic Information
| ChEMBL ID | CHEMBL146730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGAULBXDPJPVIZ-ZHACJKMWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
3.34
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Cyclooxygenase CHEMBL2094253 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 50.0 | nM | 7.3 | In vitro inhibition of 5-lipoxygenase from human polymorphs | 3346867 |
| Cyclooxygenase | IC50 | = | 5000.0 | nM | 5.3 | In vitro inhibition of Prostaglandin G/H synthase from human polymorphs | 3346867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3346867 | 10.1021/jm00398a001 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 3346867 | 10.1021/jm00398a001 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine