Compound Detail
CHEMBL205908
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Basic Information
| ChEMBL ID | CHEMBL205908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFMBDJJAQUAECW-NHCUHLMSSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
6.62
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.24 | 7.24 | 57.5 | 3 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.24 | 7.24 | 57.8 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.97 | 6.97 | 107.2 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.97 | 6.97 | 107.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 57.77 | nM | 7.24 | Displacement of [3H]CP-55940 from rat brain CB1 receptor | 16387492 |
| Cannabinoid receptor 1 | Ki | = | 57.54 | nM | 7.24 | Binding affinity at CB1 receptor | 17980589 |
| Cannabinoid receptor 1 | Ki | = | 57.77 | nM | 7.24 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 1 | Ki | = | 57.54 | nM | 7.24 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 2 | Ki | = | 107.8 | nM | 6.97 | Displacement of [3H]CP-55940 from mouse spleen CB2 receptor | 16387492 |
| Cannabinoid receptor 2 | Ki | = | 107.8 | nM | 6.97 | Binding affinity to CB2 receptor | 17521177 |
| Cannabinoid receptor 2 | Ki | = | 107.15 | nM | 6.97 | Binding affinity to CB2 receptor | 17521177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 1 | 2 |
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 2 | 2 |
| 16387492 | 10.1016/j.bmcl.2005.12.026 | Cannabinoid receptor 1 | 1 |
| 16387492 | 10.1016/j.bmcl.2005.12.026 | Unchecked | 1 |
| 16387492 | 10.1016/j.bmcl.2005.12.026 | Cannabinoid receptor 2 | 1 |
| 17980589 | 10.1016/j.bmcl.2007.10.044 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine