Compound Detail
CHEMBL4764314
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 | CHEMBL4764314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BILQKQJGNQPIPM-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
4.27
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
Ki 2 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.97 | 5.97 | 1076.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.79 | 5.79 | 1634.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 5.77 | 5.41 | 1698.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1076.0 | nM | 5.97 | Displacement of [3H]-CP55940 from human recombinant cannabinoid CB1 receptor exp... | 33550084 |
| Cannabinoid receptor 2 | Ki | = | 1634.0 | nM | 5.79 | Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor exp... | 33550084 |
| Cannabinoid receptor 2 | EC50 | = | 1698.24 | nM | 5.77 | Inverse agonist activity at human recombinant cannabinoid CB2 receptor expressed... | 33550084 |
| Cannabinoid receptor 2 | EC50 | = | 8912.51 | nM | 5.05 | Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assesse... | 33550084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33550084 | 10.1016/j.bmc.2021.116035 | Cannabinoid receptor 1 | 5 |
| 33550084 | 10.1016/j.bmc.2021.116035 | Cannabinoid receptor 2 | 5 |
| 33550084 | 10.1016/j.bmc.2021.116035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine