Compound Detail
CHEMBL498795
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 | CHEMBL498795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XABIDAQFJJMTAS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.3
MW (Da)
5.84
ALogP
6
HBA
1
HBD
63.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.96 | 6.865 | 110.0 | 2 |
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 110.0 | nM | 6.96 | Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells ass... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 170.0 | nM | 6.77 | Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP... | 18680277 |
| Cannabinoid receptor 2 | EC50 | = | 290.0 | nM | 6.54 | Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells asses... | 18680277 |
| Cannabinoid receptor 1 | EC50 | = | 3300.0 | nM | 5.48 | Agonist activity at human CB1 receptor expressed in Sf9 cells by GTP-europium bi... | 18680277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18680277 | 10.1021/jm800463f | Cannabinoid receptor 1 | 6 |
| 18680277 | 10.1021/jm800463f | Cannabinoid receptor 2 | 6 |
Data from ChEMBL 36 via Core Engine