Compound Detail
CHEMBL125061
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 | CHEMBL125061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQFRRDSIYIWKEE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.6
MW (Da)
7.74
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.48 | 7.48 | 33.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 3.0 | nM | 8.52 | Binding affinity was determined for Cannabinoid receptor 2 | 11020293 |
| Cannabinoid receptor 1 | Ki | = | 33.0 | nM | 7.48 | Binding affinity was determined for Cannabinoid receptor 1 | 11020293 |
| Cannabinoid receptor 1 | Ki | = | 33.0 | nM | 7.48 | Displacement of [3H]CP 55940 from human CB1 receptor after 1 hr by liquid scinti... | 27096053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020293 | 10.1021/jm0001572 | Cannabinoid receptor 1 | 1 |
| 11020293 | 10.1021/jm0001572 | Cannabinoid receptor 2 | 1 |
| 11020293 | 10.1021/jm0001572 | Cannabinoid receptor | 1 |
| 27096053 | 10.1021/acsmedchemlett.6b00009 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine