Compound Detail
CHEMBL307288
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O=C(O)C1(c2ccc3c(c2)OC[C@H](C(c2ccccc2)c2ccccc2)[C@H]3O)CCCC1
Basic Information
| ChEMBL ID | CHEMBL307288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQBIFFYBYRQOAF-BVAGGSTKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
5.46
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 5.27 | 5.135 | 5400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of leukotriene B4 (LTB4) binding to guinea pig spleen | - |
| Leukotriene B4 receptor | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of LTB4 receptor induced chemotaxis of isolated human neutrophils | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00414-9 | Leukotriene B4 receptor | 2 |
Data from ChEMBL 36 via Core Engine