Compound Detail
CHEMBL59656
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CCc1cc(C(C)=O)c(O)cc1OCCCOc1cccc(Oc2cccc(C(=O)[O-])c2)c1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL59656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGEZQFNBWODOLL-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1205155 |
| Active Moiety | CHEMBL1205155 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
5.50
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Leukotriene B4 receptor CHEMBL2095160 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | Ki | = | 140.0 | nM | 6.85 | Inhibition of specific binding of [3H]-LTB4 to LTB4 receptor in guinea pig lung ... | - |
| Leukotriene B4 receptor | IC50 | = | 460.0 | nM | 6.34 | Inhibition of specific binding of [3H]LTB4 to LTB4 receptor in human neutrophils | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81000-3 | Leukotriene B4 receptor | 2 |
Data from ChEMBL 36 via Core Engine