Compound Detail
CHEMBL52492
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CCCn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2OC)c2cc(NC(=O)NC3CCCC3)ccc21
Basic Information
| ChEMBL ID | CHEMBL52492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVSHLJPCGRTPSS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
588.7
MW (Da)
5.83
ALogP
6
HBA
3
HBD
118.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 0.5 | nM | 9.3 | Displacement of [3H]LTD4 on guinea pig lung parenchymal membranes | 2342072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2342072 | 10.1021/jm00168a037 | Cysteinyl leukotriene receptor | 1 |
| 2342072 | 10.1021/jm00168a037 | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine