Compound Detail
CHEMBL218957
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Basic Information
| ChEMBL ID | CHEMBL218957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOONPZHOPMGIMM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
461.8
MW (Da)
5.53
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 9.47 | 9.47 | 0.3 | 2 |
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 5.69 | 5.69 | 2050.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.34 | nM | 9.47 | Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor | 17149879 |
| Cannabinoid receptor 2 | Ki | = | 0.34 | nM | 9.47 | Displacement of [3H]CP-55940 from CB2 receptor in CD1 mouse spleen | 16279795 |
| Cannabinoid receptor 1 | Ki | = | 2050.0 | nM | 5.69 | Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor | 17149879 |
| Cannabinoid receptor 1 | Ki | = | 2050.0 | nM | 5.69 | Displacement of [3H]CP-55940 from CB1 receptor in CD1 mouse brain | 16279795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149879 | 10.1021/jm060920d | Cannabinoid receptor 2 | 3 |
| 17149879 | 10.1021/jm060920d | Cannabinoid receptor 1 | 1 |
| 17149879 | 10.1021/jm060920d | Cannabinoid receptor | 1 |
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor 1 | 1 |
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor 2 | 1 |
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine