Compound Detail
CHEMBL550309
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Basic Information
| ChEMBL ID | CHEMBL550309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLVXILUFDUMZFD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
5.40
ALogP
3
HBA
0
HBD
45.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.28
EC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.28 | 6.28 | 520.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 520.0 | nM | 6.28 | Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells... | 19520572 |
| Cannabinoid receptor 1 | EC50 | = | 1100.0 | nM | 5.96 | Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation a... | 19520572 |
| Cannabinoid receptor 2 | Ki | = | 10000.0 | nM | 5.0 | Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells... | 19520572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19520572 | 10.1016/j.bmcl.2009.05.114 | Cannabinoid receptor 1 | 4 |
| 19520572 | 10.1016/j.bmcl.2009.05.114 | Cannabinoid receptor 2 | 1 |
| 19520572 | 10.1016/j.bmcl.2009.05.114 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine