Compound Detail
CHEMBL139155
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CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(CCCCC(=O)N(C)C)c1CCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL139155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGLFPXLRPLEPPZ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
565.7
MW (Da)
6.43
ALogP
5
HBA
2
HBD
96.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.51
IC50 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | Ki | 8.51 | 8.29 | 3.1 | 2 |
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | Ki | = | 3.1 | nM | 8.51 | Binding affinity towards human LTB4 receptor measured as inhibition of binding o... | 7473568 |
| Leukotriene B4 receptor | IC50 | = | 7.8 | nM | 8.11 | Inhibition of LTB4 induced expression of human neutrophil integrin CD11b/CD18. | 7473568 |
| Leukotriene B4 receptor | Ki | = | 8.6 | nM | 8.07 | Binding affinity towards Leukotriene B4 receptor guinea pig lung membrane using ... | 7473568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473568 | 10.1021/jm00022a006 | Leukotriene B4 receptor | 3 |
Data from ChEMBL 36 via Core Engine