Compound Detail
CHEMBL239840
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Basic Information
| ChEMBL ID | CHEMBL239840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCWUHOUJFHULHQ-WOJBJXKFSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
6.99
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.66 | 8.66 | 2.2 | 3 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.48 | 8.48 | 3.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 2.188 | nM | 8.66 | Binding affinity at CB1 receptor | 17980589 |
| Cannabinoid receptor 1 | Ki | = | 2.17 | nM | 8.66 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 1 | Ki | = | 2.188 | nM | 8.66 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 2 | Ki | = | 3.3 | nM | 8.48 | Binding affinity to CB2 receptor | 17521177 |
| Cannabinoid receptor 2 | Ki | = | 3.311 | nM | 8.48 | 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 |
| 17980589 | 10.1016/j.bmcl.2007.10.044 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine