Compound Detail
CHEMBL500134
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Basic Information
| ChEMBL ID | CHEMBL500134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXRLDKFKDMBCCE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.2
MW (Da)
5.77
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.43 | 6.43 | 370.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 460.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 223.11 | nM | Rattus norvegicus |
| F | 13.0 | % | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 370.0 | nM | 6.43 | Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP... | 18680277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18680277 | 10.1021/jm800463f | Cannabinoid receptor 1 | 4 |
| 18680277 | 10.1021/jm800463f | Cannabinoid receptor 2 | 4 |
| 18680277 | 10.1021/jm800463f | Rattus norvegicus | 4 |
Data from ChEMBL 36 via Core Engine