Compound Detail
CHEMBL15295
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Basic Information
| ChEMBL ID | CHEMBL15295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKTWJFBNXZNLCC-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
5.20
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Ki 1 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | Ki | 7.81 | 7.81 | 15.5 | 1 |
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.71 | 5.71 | 1941.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | Ki | = | 15.5 | nM | 7.81 | Binding affinity against LTB4 receptor in guinea pig membrane | - |
| Leukotriene B4 receptor 1 | IC50 | = | 36.0 | nM | 7.44 | Inhibition against LTB4 receptor in human neutrophil | - |
| Homo sapiens | IC50 | = | 1941.0 | nM | 5.71 | Antagonism of LTB4 receptor induced CD11b/CD18 adhesion protein up-regulation in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80304-2 | Leukotriene B4 receptor 1 | 3 |
| - | 10.1016/S0960-894X(00)80304-2 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine