Compound Detail
CHEMBL197777
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COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc(CNS(C)(=O)=O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL197777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLYRXCZZVVWYNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
2.42
ALogP
8
HBA
1
HBD
132.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1.3 | nM | 8.89 | Inhibition constant against Cannabinoid receptor 2 | 16115769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16115769 | 10.1016/j.bmcl.2005.07.023 | Cannabinoid receptor 2 | 1 |
| 16115769 | 10.1016/j.bmcl.2005.07.023 | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine