Compound Detail
CHEMBL428779
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 | CHEMBL428779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNHNBEXEBBBFMB-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
5.07
ALogP
4
HBA
0
HBD
70.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.52
Ki 2 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.04 | 7.04 | 92.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.52 | 6.44 | 300.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 92.0 | nM | 7.04 | Displacement of radioligand from human CB1 receptor expressed in HEK293 cells | 18083560 |
| Cannabinoid receptor 1 | EC50 | = | 300.0 | nM | 6.52 | Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation a... | 19520572 |
| Cannabinoid receptor 1 | EC50 | = | 435.0 | nM | 6.36 | Inverse agonist activity at human CB1 receptor expressed in HEK293 EBNA cells by... | 18083560 |
| Cannabinoid receptor 2 | Ki | = | 3100.0 | nM | 5.51 | Displacement of radioligand from human CB2 receptor expressed in HEK293 cells | 18083560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18083560 | 10.1016/j.bmcl.2007.11.133 | Cannabinoid receptor 1 | 3 |
| 19520572 | 10.1016/j.bmcl.2009.05.114 | Cannabinoid receptor 1 | 2 |
| 18083560 | 10.1016/j.bmcl.2007.11.133 | Cannabinoid receptor 2 | 1 |
| 18083560 | 10.1016/j.bmcl.2007.11.133 | Unchecked | 1 |
| 19520572 | 10.1016/j.bmcl.2009.05.114 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine