Compound Detail
CHEMBL594530
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Basic Information
| ChEMBL ID | CHEMBL594530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWMZUZLACLTWNE-PHIMTYICSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.2
MW (Da)
4.60
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 9.2 | 9.2 | 0.6 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.2 | 5.2 | 6309.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.7 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 0.631 | nM | 9.2 | Agonist activity at human CB2 receptor | 20005703 |
| Cannabinoid receptor 1 | EC50 | = | 6309.57 | nM | 5.2 | Agonist activity at human CB1 receptor | 20005703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20005703 | 10.1016/j.bmcl.2009.11.117 | Cannabinoid receptor 2 | 2 |
| 20005703 | 10.1016/j.bmcl.2009.11.117 | Cannabinoid receptor 1 | 2 |
| 20005703 | 10.1016/j.bmcl.2009.11.117 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine