Compound Detail
CHEMBL161521
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 | CHEMBL161521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVKKNJPJQKTXIT-AZHODBKJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
5.02
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.79 | 6.79 | 162.3 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.83 | 5.83 | 1470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 162.3 | nM | 6.79 | In vitro binding affinity was determined against rat brain Cannabinoid receptor ... | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 1470.0 | nM | 5.83 | Binding affinity against the cannabinoid receptor in the presence of PMSF (exper... | 9057852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057852 | 10.1021/jm960752x | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine