Compound Detail
CHEMBL81817
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL81817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUCALGCVCVJWDG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.82
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of [3H]Leukotriene B4 binding to human PMN | 8057289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057289 | 10.1021/jm00041a021 | Leukotriene B4 receptor 1 | 1 |
| 18386916 | 10.1021/jm701399f | Leukotriene B4 receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine