Compound Detail
CHEMBL65299
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Basic Information
| ChEMBL ID | CHEMBL65299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVRYTKWXGRLHNF-MFOYZWKCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
3.79
ALogP
3
HBA
2
HBD
72.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of 5-lipoxygenase in intact RBL-1 cell line | 2115586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2115586 | 10.1021/jm00170a004 | Cyclooxygenase | 1 |
| 2115586 | 10.1021/jm00170a004 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine