Compound Detail
CHEMBL73855
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O=C(O)C1(c2ccc3c(c2)CC[C@H](C(c2ccccc2)C2CCCCC2)[C@H]3O)CCCC1
Basic Information
| ChEMBL ID | CHEMBL73855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFFLVOXYZXMTHE-HXMJJLHYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
6.54
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 6.17 | 5.995 | 680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | IC50 | = | 680.0 | nM | 6.17 | Inhibition of leukotriene B4 (LTB4) binding to guinea pig spleen | - |
| Leukotriene B4 receptor | IC50 | = | 1500.0 | nM | 5.82 | 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 |
| - | 10.1016/S0960-894X(97)00414-9 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine