Compound Detail
CHEMBL65050
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Basic Information
| ChEMBL ID | CHEMBL65050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCWLOLLDPNOQLG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.2
MW (Da)
4.16
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line | 2115586 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of 5-lipoxygenase in intact RBL-1 cell line | 2115586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2115586 | 10.1021/jm00170a004 | Unchecked | 2 |
| 2115586 | 10.1021/jm00170a004 | Rattus norvegicus | 2 |
| 2115586 | 10.1021/jm00170a004 | Cyclooxygenase | 1 |
| 2115586 | 10.1021/jm00170a004 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine