Compound Detail
CHEMBL118028
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Basic Information
| ChEMBL ID | CHEMBL118028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZRAFUHMUIHTGW-WOJBJXKFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
6.68
ALogP
4
HBA
1
HBD
29.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.76 | 7.76 | 17.3 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.75 | 7.75 | 17.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 17.3 | nM | 7.76 | Binding affinity towards Cannabinoid receptor 1 using CP-55940 as radioligand in... | 14505654 |
| Cannabinoid receptor 1 | Ki | = | 17.3 | nM | 7.76 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 2 | Ki | = | 17.6 | nM | 7.75 | Binding affinity towards Cannabinoid receptor 2 using CP-55940 as radioligand in... | 14505654 |
| Cannabinoid receptor 2 | Ki | = | 17.6 | nM | 7.75 | Binding affinity to CB2 receptor | 17521177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505654 | 10.1016/s0960-894x(03)00729-7 | Cannabinoid receptor 1 | 2 |
| 14505654 | 10.1016/s0960-894x(03)00729-7 | Cannabinoid receptor 2 | 1 |
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 1 | 1 |
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine