Compound Detail
CHEMBL198128
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C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2Nc2ccc(Cl)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL198128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUHSVLMCHPFREM-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.4
MW (Da)
5.18
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.56 | 6.56 | 278.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 278.0 | nM | 6.56 | 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