Compound Detail
CHEMBL458143
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL458143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROXBNNWLTLUZPU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
4.07
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.44
EC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.44 | 7.43 | 36.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 36.0 | nM | 7.44 | Displacement of [3H]CP-55940 from human CB2 receptor | 18522867 |
| Cannabinoid receptor 2 | EC50 | = | 38.0 | nM | 7.42 | Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulati... | 18522867 |
| Cannabinoid receptor 2 | Ki | = | 38.0 | nM | 7.42 | Binding affinity to CB2 receptor (unknown origin) | 23865723 |
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 | Unchecked | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 1 | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine