Compound Detail
CHEMBL81401
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Basic Information
| ChEMBL ID | CHEMBL81401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIBAZYPPVCPIBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
4.92
ALogP
6
HBA
3
HBD
113.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 4.5 | nM | 8.35 | 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 |
Data from ChEMBL 36 via Core Engine