Compound Detail
CHEMBL167804
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 | CHEMBL167804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIIUJGWVQJRIPP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.6
MW (Da)
4.59
ALogP
6
HBA
2
HBD
103.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 9.07 | 9.07 | 0.8 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 0.85 | nM | 9.07 | Inhibitory activity against leukotriene B4 receptor | - |
| Homo sapiens | IC50 | = | 1.3 | nM | 8.89 | Compound was tested for inhibitory activity against leukotriene B4 induced neutr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80853-2 | Leukotriene B4 receptor 1 | 1 |
| - | 10.1016/S0960-894X(01)80853-2 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine