Compound Detail
CHEMBL285486
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Basic Information
| ChEMBL ID | CHEMBL285486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKACBKGNKYLDDO-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
469.2
MW (Da)
4.64
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.78 | 6.365 | 165.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.95 | 5.95 | 1119.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1.9 | nM | 8.72 | Binding affinity against Cannabinoid receptor 2 in mouse spleen | 10052983 |
| Cannabinoid receptor 1 | Ki | = | 165.0 | nM | 6.78 | Inhibition of [3H]CP-55940 binding to cannabinoid receptor 1 in rat brain membra... | 11906286 |
| Cannabinoid receptor 1 | Ki | = | 1120.0 | nM | 5.95 | Binding affinity against Cannabinoid receptor 1 in rat forebrain | 10052983 |
| Cannabinoid receptor 1 | Ki | = | 1119.44 | nM | 5.95 | Antagonist activity at CB1 receptor (unknown origin) | - |
| Cannabinoid receptor 1 | Ki | = | 1119.4 | nM | 5.95 | Antagonist activity at CB1 receptor (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0418-y | Cannabinoid receptor 1 | 2 |
| 10052983 | 10.1021/jm980363y | Cannabinoid receptor 1 | 1 |
| 10052983 | 10.1021/jm980363y | Cannabinoid receptor 2 | 1 |
| 10052983 | 10.1021/jm980363y | Cannabinoid receptor | 1 |
| 11906286 | 10.1021/jm010267o | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine