Compound Detail
CHEMBL225415
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL225415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGUIPKPCEPDNQT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
5.38
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 9.96 | 9.96 | 0.1 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.41 | 6.41 | 386.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.11 | nM | 9.96 | Displacement of [3H]CP-55940 from CB1 receptor in CD1 mouse brain | 16279795 |
| Cannabinoid receptor 2 | Ki | = | 386.0 | nM | 6.41 | Displacement of [3H]CP-55940 from CB2 receptor in CD1 mouse spleen | 16279795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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