Compound Detail
CHEMBL525791
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Cc1ccc(NC(=O)[C@@H]2C[C@@]3(C)CC[C@]2(C)O3)cc1S(=O)(=O)N1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL525791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEUZBUCHGCWINN-DBVUQKKJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
2.30
ALogP
5
HBA
1
HBD
84.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.18 | 6.18 | 660.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 660.0 | nM | 6.18 | Displacement of [3H]CP-55940 from human cloned CB2 receptor by scintillation spe... | 19091565 |
| Cannabinoid receptor 1 | Ki | = | 2900.0 | nM | 5.54 | Displacement of [3H]CP-55940 from human cloned CB1 receptor by scintillation spe... | 19091565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19091565 | 10.1016/j.bmcl.2008.11.091 | Cannabinoid receptor 2 | 2 |
| 19091565 | 10.1016/j.bmcl.2008.11.091 | Cannabinoid receptor 1 | 1 |
| 19091565 | 10.1016/j.bmcl.2008.11.091 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine