Compound Detail
CHEMBL51891
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
COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12
Basic Information
| ChEMBL ID | CHEMBL51891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMBSWXHULOPCIY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
573.7
MW (Da)
5.72
ALogP
6
HBA
2
HBD
106.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 9.3 | 9.3 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Ki | = | 0.3 | nM | 9.52 | Compound was evaluated for the displacement of [3H]LTD4 on guinea pig lung paren... | 1320123 |
| Cysteinyl leukotriene receptor 1 | Ki | = | 0.5012 | nM | 9.3 | Binding affinity to the leukotriene receptor (LTD4) from guinea pig lung parench... | 8381184 |
| 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 |
|---|---|---|---|
| 8381184 | 10.1021/jm00055a011 | Cysteinyl leukotriene receptor 1 | 2 |
| 8381184 | 10.1021/jm00055a011 | Cavia porcellus | 2 |
| 8381184 | 10.1021/jm00055a011 | Unchecked | 1 |
| 2342072 | 10.1021/jm00168a037 | Cysteinyl leukotriene receptor | 1 |
| 2342072 | 10.1021/jm00168a037 | Cysteinyl leukotriene receptor 1 | 1 |
| 2342072 | 10.1021/jm00168a037 | Cavia porcellus | 1 |
| 1320123 | 10.1021/jm00091a010 | Cysteinyl leukotriene receptor | 1 |
| 1320123 | 10.1021/jm00091a010 | Cavia porcellus | 1 |
| 30193218 | 10.1016/j.ejmech.2018.08.077 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine