Compound Detail
CHEMBL453842
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Basic Information
| ChEMBL ID | CHEMBL453842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCXIQMXHYGYQBH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
5.84
ALogP
4
HBA
0
HBD
47.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.38
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.38 | 8.38 | 4.2 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 4.2 | nM | 8.38 | Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulati... | 18522867 |
| Cannabinoid receptor 2 | Ki | = | 11.0 | nM | 7.96 | 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