Compound Detail
CHEMBL264521
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Basic Information
| ChEMBL ID | CHEMBL264521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZNIGHJFOUDOAH-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
4.75
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.87
EC50 1 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.87 | 7.87 | 13.4 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.61 | 7.61 | 24.8 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.72 | 5.72 | 1925.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 13.4 | nM | 7.87 | Displacement of [3H]CP-55940 from human CB2 receptor | 16392793 |
| Cannabinoid receptor 2 | Ki | = | 13.4 | nM | 7.87 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | EC50 | = | 24.8 | nM | 7.61 | Effect on [35S]GTP-gamma-S binding to human CB2 receptor | 16392793 |
| Cannabinoid receptor 1 | Ki | = | 1925.0 | nM | 5.72 | Displacement of [3H]SR-141716A from human CB1 receptor | 16392793 |
| Cannabinoid receptor 1 | Ki | = | 1925.0 | nM | 5.72 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor 2 | 5 |
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor 1 | 2 |
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 1 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine