Compound Detail
CHEMBL417135
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Basic Information
| ChEMBL ID | CHEMBL417135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AECCUSOSVDWESX-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
4.68
ALogP
6
HBA
1
HBD
102.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Kd 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL1798 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Kd | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 1100.0 | nM | 5.96 | Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibiti... | 20621485 |
| Cysteinyl leukotriene receptor 1 | Kd | = | 1100.0 | nM | 5.96 | In vitro affinity for CysLT1 receptors on guinea pig lung membranes, measured by... | 9554876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554876 | 10.1021/jm970179x | Cysteinyl leukotriene receptor 1 | 1 |
| 20621485 | 10.1016/j.bmc.2010.06.047 | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine