Compound Detail
CHEMBL4483714
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 | CHEMBL4483714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCRNNVGBASJBRF-LYBHJNIJSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
6.06
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.85
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.07 | 9.07 | 0.9 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.85 | 6.85 | 141.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.79 | 6.79 | 163.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.79 | nM | 9.1 | Displacement of [3H]-CP55940 from human CB2 receptor | 27482723 |
| Cannabinoid receptor 1 | Ki | = | 0.859 | nM | 9.07 | Displacement of [3H]-CP55940 from human CB1 receptor | 27482723 |
| Cannabinoid receptor 1 | EC50 | = | 141.0 | nM | 6.85 | Agonist activity at human CB1R expressed in CHO cells by Ca2+ flux assay | 27482723 |
| Cannabinoid receptor 2 | EC50 | = | 163.0 | nM | 6.79 | Agonist activity at human CB2R expressed in CHO cells by Ca2+ flux assay | 27482723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27482723 | 10.1021/acs.jmedchem.6b00516 | ADMET | 6 |
| 27482723 | 10.1021/acs.jmedchem.6b00516 | Cannabinoid receptor 1 | 3 |
| 27482723 | 10.1021/acs.jmedchem.6b00516 | Cannabinoid receptor 2 | 3 |
| 27482723 | 10.1021/acs.jmedchem.6b00516 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine