Compound Detail
CHEMBL223278
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Basic Information
| ChEMBL ID | CHEMBL223278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REFKOFQJNBBJBM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
503.9
MW (Da)
6.51
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.44
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 12.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 12.0 | 10.175 | 0.0 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.55 | 7.55 | 28.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.001 | nM | 12.0 | Displacement of [3H]CP-55940 from CB1 receptor in CD1 mouse brain | 16279795 |
| Cannabinoid receptor 2 | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]CP-55940 from CB2 receptor in CD1 mouse spleen | 16279795 |
| Cannabinoid receptor 1 | Ki | = | 4.5 | nM | 8.35 | Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes a... | 27240274 |
| Cannabinoid receptor 2 | Ki | = | 28.1 | nM | 7.55 | 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 | Mus musculus | 3 |
| 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