Compound Detail
CHEMBL85455
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Basic Information
| ChEMBL ID | CHEMBL85455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUJAGQQQJQXABJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
2.55
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Prostaglandin G/H synthase (cyclooxygenase) CHEMBL2111349 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 210.0 | nM | 6.68 | Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free super... | 8568814 |
| Prostaglandin G/H synthase (cyclooxygenase) | IC50 | = | 750.0 | nM | 6.12 | Inhibition of PGE-2 production in 3T3 (murine fibroblast) cell culture. | 8568814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568814 | 10.1021/jm950563z | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8568814 | 10.1021/jm950563z | Prostaglandin G/H synthase (cyclooxygenase) | 1 |
| 8568814 | 10.1021/jm950563z | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine