Compound Detail
CHEMBL159099
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Basic Information
| ChEMBL ID | CHEMBL159099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXUGBWPQUAEUKG-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.67
ALogP
5
HBA
1
HBD
44.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.55 | 4.815 | 2800.0 | 2 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 21.0 | nM | 7.68 | Ability to inhibit histamine-induced contractions of isolated guinea pig ileum | 7861415 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2800.0 | nM | 5.55 | Inhibitory activity against partially-purified Guinea pig PMN 5-lipoxygenase | 7861415 |
| Oryctolagus cuniculus | IC50 | = | 39000.0 | nM | 4.41 | Test against PAF-induced aggregation of rabbit platelets in vitro | 7861415 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 84000.0 | nM | 4.08 | Inhibitory activity uM | 7861415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7861415 | 10.1021/jm00004a013 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 7861415 | 10.1021/jm00004a013 | Cavia porcellus | 1 |
| 7861415 | 10.1021/jm00004a013 | Oryctolagus cuniculus | 1 |
| 7861415 | 10.1021/jm00004a013 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine