Compound Detail
CHEMBL4451793
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 | CHEMBL4451793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAPZQGSEDRMARM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
3.57
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.36 | 6.36 | 436.5 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.93 | 5.93 | 1174.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 436.5 | nM | 6.36 | Antagonist activity at N-terminal Flag epitope tagged CB2 (unknown origin) expre... | 31302448 |
| Cannabinoid receptor 1 | EC50 | = | 1174.0 | nM | 5.93 | Antagonist activity at N-terminal Flag epitope tagged CB1 (unknown origin) expre... | 31302448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Cannabinoid receptor 1 | 4 |
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Cannabinoid receptor 2 | 4 |
Data from ChEMBL 36 via Core Engine