Compound Detail
CHEMBL519863
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 | CHEMBL519863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYVLQPWWJVOLAX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
5.27
ALogP
4
HBA
0
HBD
47.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.96 | 7.925 | 11.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.79 | 6.79 | 162.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 11.0 | nM | 7.96 | Binding affinity to CB1 receptor | 19351113 |
| Cannabinoid receptor 1 | Ki | = | 13.0 | nM | 7.89 | Antagonist activity at human CB1 receptor expressed in CHOK1 cells assessed as i... | 19351113 |
| Cannabinoid receptor 2 | Ki | = | 162.0 | nM | 6.79 | Binding affinity to CB2 receptor | 19351113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19351113 | 10.1021/jm900255t | Cannabinoid receptor 1 | 2 |
| 19351113 | 10.1021/jm900255t | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine