Compound Detail
CHEMBL50833
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Basic Information
| ChEMBL ID | CHEMBL50833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWLIMSFWPMRBPE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
4.39
ALogP
5
HBA
2
HBD
51.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 6.21 | 6.21 | 610.0 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 610.0 | nM | 6.21 | In vitro inhibitory activity against Cyclooxygenase was determined | - |
| Cyclooxygenase | IC50 | = | 610.0 | nM | 6.21 | Inhibition of Prostaglandin G/H synthase mediated PGF2-alpha formation in rat ba... | 8515419 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibitory activity against 5-lipoxygenase was determined | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition 5-lipoxygenase mediated LTB4 formation in rat basophilic leukemia (RB... | 8515419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80657-5 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1016/S0960-894X(00)80657-5 | Cyclooxygenase | 1 |
| 8515419 | 10.1021/jm00065a002 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8515419 | 10.1021/jm00065a002 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine