Compound Detail
CHEMBL50562
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COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12
Basic Information
| ChEMBL ID | CHEMBL50562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHCBAIWHQUWKQY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
574.7
MW (Da)
5.12
ALogP
7
HBA
2
HBD
119.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | Ki | = | 0.3 | nM | 9.52 | Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal ... | 2342072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2342072 | 10.1021/jm00168a037 | Cavia porcellus | 2 |
| 2342072 | 10.1021/jm00168a037 | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine