Compound Detail
CHEMBL418555
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Basic Information
| ChEMBL ID | CHEMBL418555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJSPAMOJYVCLHT-QZTJIDSGSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
6.16
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.66 | 7.66 | 21.7 | 3 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.66 | 7.66 | 21.7 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.08 | 7.08 | 83.2 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 7.08 | 7.08 | 83.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 21.7 | nM | 7.66 | The compound was evaluated for its affinity towards cannabinoid receptor 1 (CB1)... | 9544219 |
| Cannabinoid receptor 1 | Ki | = | 21.88 | nM | 7.66 | Binding affinity at CB1 receptor | 17980589 |
| Cannabinoid receptor 1 | Ki | = | 21.7 | nM | 7.66 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 1 | Ki | = | 21.88 | nM | 7.66 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 2 | Ki | = | 83.7 | nM | 7.08 | The compound was evaluated for its affinity towards cannabinoid receptor 2 (CB2)... | 9544219 |
| Cannabinoid receptor 2 | Ki | = | 83.7 | nM | 7.08 | Binding affinity to CB2 receptor | 17521177 |
| Cannabinoid receptor 2 | Ki | = | 83.18 | nM | 7.08 | 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 |
| 9544219 | 10.1021/jm970277i | Cannabinoid receptor 1 | 1 |
| 9544219 | 10.1021/jm970277i | Cannabinoid receptor 2 | 1 |
| 17980589 | 10.1016/j.bmcl.2007.10.044 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine