Compound Detail
CHEMBL453843
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Basic Information
| ChEMBL ID | CHEMBL453843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJYQAFGYQJXSBT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.31
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.66
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 22.0 | nM | 7.66 | Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulati... | 18522867 |
| Cannabinoid receptor 2 | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]CP-55940 from human CB2 receptor | 18522867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18522867 | 10.1016/j.bmcl.2008.05.073 | Cannabinoid receptor 2 | 3 |
| 18522867 | 10.1016/j.bmcl.2008.05.073 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine