Compound Detail
CHEMBL225622
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Basic Information
| ChEMBL ID | CHEMBL225622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADAVAHIZKNKQSU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
488.9
MW (Da)
7.05
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 9.52 | 8.755 | 0.3 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 9.19 | 9.19 | 0.7 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.75 | 7.75 | 17.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]CP-55940 from CB1 receptor in CD1 mouse brain | 16279795 |
| Cannabinoid receptor 2 | Ki | = | 0.65 | nM | 9.19 | Displacement of [3H]CP-55940 from CB2 receptor in CD1 mouse spleen | 16279795 |
| Cannabinoid receptor 1 | Ki | = | 10.2 | nM | 7.99 | Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes a... | 27240274 |
| Cannabinoid receptor 2 | Ki | = | 17.9 | nM | 7.75 | Displacement of [3H]-CP55,940 from human CB2 receptor transfected in CHO cell me... | 27240274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27240274 | 10.1016/j.ejmech.2016.05.011 | Cannabinoid receptor 1 | 4 |
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor 1 | 1 |
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor 2 | 1 |
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor | 1 |
| 27240274 | 10.1016/j.ejmech.2016.05.011 | Cannabinoid receptor 2 | 1 |
| 27240274 | 10.1016/j.ejmech.2016.05.011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine