Compound Detail
CHEMBL284624
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Basic Information
| ChEMBL ID | CHEMBL284624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZECLHDRRSBEUDJ-ACCUITESSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
5.88
ALogP
4
HBA
1
HBD
80.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Kd 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Kd | 7.77 | 7.77 | 17.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 17.0 | nM | 7.77 | Binding affinity towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured... | 9554877 |
| Cysteinyl leukotriene receptor 1 | Kd | = | 17.0 | nM | 7.77 | In vitro affinity for CysLT1 receptors on guinea pig lung membranes, measured by... | 9554876 |
| Cavia porcellus | IC50 | = | 42.0 | nM | 7.38 | Ex vivo inhibition of LTD4 induced contraction of guinea pig ileum. | 9554876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554877 | 10.1021/jm970180w | Cysteinyl leukotriene receptor 1 | 1 |
| 9554876 | 10.1021/jm970179x | Cysteinyl leukotriene receptor 1 | 1 |
| 9554876 | 10.1021/jm970179x | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine