Compound Detail
CHEMBL380610
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 | CHEMBL380610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEYCXMJNFXQFNI-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
5.00
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.38
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.38 | 6.8667 | 41.7 | 3 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.8 | 6.8 | 157.4 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.98 | 5.98 | 1045.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 41.7 | nM | 7.38 | Inhibition of human CB2 receptor expressed in CHO cells | 17915849 |
| Cannabinoid receptor 2 | Ki | = | 60.2 | nM | 7.22 | Displacement of [3H]CP-55940 from human CB2 receptor | 16392793 |
| Cannabinoid receptor 2 | EC50 | = | 157.4 | nM | 6.8 | Effect on [35S]GTP-gamma-S binding to human CB2 receptor | 16392793 |
| Cannabinoid receptor 2 | Ki | = | 1010.0 | nM | 6.0 | Inhibition of human CB2 receptor expressed in CHO cells | 17915849 |
| Cannabinoid receptor 1 | Ki | = | 1045.0 | nM | 5.98 | Displacement of [3H]SR-141716A from human CB1 receptor | 16392793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor 2 | 5 |
| 17915849 | 10.1021/jm070387h | Cannabinoid receptor 2 | 5 |
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor 1 | 2 |
| 17915849 | 10.1021/jm070387h | Cannabinoid receptor 1 | 2 |
| 16392793 | 10.1021/jm050467q | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine