Compound Detail
CHEMBL52102
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Cc1ccccc1S(=O)(=O)NC(=O)c1cccc(C[C@@H]2[C@@H](C)Oc3ccc(OCc4nc5cc(F)ccc5s4)cc3[C@@H]2O)c1
Basic Information
| ChEMBL ID | CHEMBL52102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWYWVEHZMASOIG-WZTPMAIESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
632.7
MW (Da)
6.11
ALogP
8
HBA
2
HBD
114.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | Ki | = | 3.0 | nM | 8.52 | Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes | 9873435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873435 | 10.1016/s0960-894x(98)00273-x | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine