Compound Detail
CHEMBL407983
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 | CHEMBL407983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIYHQMZYWBIOQS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.77
ALogP
6
HBA
3
HBD
112.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.38
IC50 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor CHEMBL2095160 | Ki | 8.38 | 7.88 | 4.2 | 2 |
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor | Ki | = | 4.2 | nM | 8.38 | Binding affinity towards human LTB4 receptor measured as inhibition of binding o... | 7473568 |
| Leukotriene B4 receptor 1 | IC50 | = | 6.4 | nM | 8.19 | Inhibition of [3H]Leukotriene B4 binding to human PMN | 8057289 |
| Leukotriene B4 receptor | Ki | = | 42.0 | nM | 7.38 | Binding affinity towards Leukotriene B4 receptor guinea pig lung membrane using ... | 7473568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057289 | 10.1021/jm00041a021 | Leukotriene B4 receptor 1 | 4 |
| 7473568 | 10.1021/jm00022a006 | Leukotriene B4 receptor | 2 |
Data from ChEMBL 36 via Core Engine