Compound Detail
CHEMBL285278
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Basic Information
| ChEMBL ID | CHEMBL285278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLLLSFSHYFLEMU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.2
MW (Da)
5.14
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2096674 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of bovine Prostaglandin G/H synthase after oral administration | 3133478 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administ... | 3133478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3133478 | 10.1021/jm00402a034 | Rattus norvegicus | 5 |
| 3133478 | 10.1021/jm00402a034 | Mus musculus | 1 |
| 3133478 | 10.1021/jm00402a034 | Cyclooxygenase | 1 |
| 3133478 | 10.1021/jm00402a034 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine