Compound Detail
CHEMBL200143
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 | CHEMBL200143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZBHQISWFMCUHI-QGZVFWFLSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
4.68
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.43
EC50 1 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.78 | 7.78 | 16.8 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.43 | 7.43 | 37.1 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.94 | 5.94 | 1154.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 16.8 | nM | 7.78 | Effect on [35S]GTP-gamma-S binding to human CB2 receptor | 16392793 |
| Cannabinoid receptor 2 | Ki | = | 37.1 | nM | 7.43 | Displacement of [3H]CP-55940 from human CB2 receptor | 16392793 |
| Cannabinoid receptor 1 | Ki | = | 1154.0 | nM | 5.94 | Displacement of [3H]SR-141716A from human CB1 receptor | 16392793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor 2 | 4 |
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor 1 | 1 |
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine