Compound Detail
CHEMBL62265
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CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccc(C#CCCC(=O)O)cc1CCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL62265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSXTZZMMWPSJJS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
5.84
ALogP
5
HBA
3
HBD
113.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.14
IC50 1 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | Ki | 10.14 | 9.55 | 0.1 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | Ki | = | 0.073 | nM | 10.14 | LTB4 receptor antagonist activity was determined by inhibition of specific bindi... | - |
| Leukotriene B4 receptor 1 | Ki | = | 1.1 | nM | 8.96 | LTB4 receptor antagonist activity was determined by inhibition of specific bindi... | - |
| Homo sapiens | IC50 | = | 4.7 | nM | 8.33 | Compound was tested for Leukotriene B4-mediated Up-regulation of human neutrophi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80105-0 | Leukotriene B4 receptor 1 | 2 |
| - | 10.1016/S0960-894X(01)80105-0 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine