Compound Detail
CHEMBL549501
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CS/C(=N\S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)N1CCCC1
Basic Information
| ChEMBL ID | CHEMBL549501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNOVHHIDYPOWLH-PLRJNAJWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
5.12
ALogP
6
HBA
0
HBD
67.6
PSA (Ų)
0.37
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells... | 19520572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19520572 | 10.1016/j.bmcl.2009.05.114 | Cannabinoid receptor 1 | 2 |
| 19520572 | 10.1016/j.bmcl.2009.05.114 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine