Compound Detail
CHEMBL380415
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Basic Information
| ChEMBL ID | CHEMBL380415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSXSYORWCBQRQM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
5.71
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.61
EC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.61 | 6.61 | 247.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.51 | 6.51 | 309.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.45 | 6.45 | 353.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 247.0 | nM | 6.61 | Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum | 16451053 |
| Cannabinoid receptor 1 | EC50 | = | 309.0 | nM | 6.51 | Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay | 16451053 |
| Cannabinoid receptor 1 | Ki | = | 353.0 | nM | 6.45 | Displacement of [3H]SR141716A from human CB1 receptor | 16451053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451053 | 10.1021/jm050484f | Cannabinoid receptor 1 | 6 |
| 16451053 | 10.1021/jm050484f | Cannabinoid receptor 2 | 1 |
| 16451053 | 10.1021/jm050484f | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine