Compound Detail
CHEMBL3581220
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 | CHEMBL3581220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCLBDUBKVIKULL-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
432.7
MW (Da)
6.39
ALogP
5
HBA
1
HBD
36.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.23
Ki 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.23 | 7.23 | 59.1 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.09 | 7.09 | 81.7 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.63 | 5.63 | 2343.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.62 | 5.62 | 2376.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 59.1 | nM | 7.23 | Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inh... | 25466197 |
| Cannabinoid receptor 2 | Ki | = | 81.7 | nM | 7.09 | Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell mem... | 25466197 |
| Cannabinoid receptor 1 | Ki | = | 2343.0 | nM | 5.63 | Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell mem... | 25466197 |
| Cannabinoid receptor 1 | EC50 | = | 2376.0 | nM | 5.62 | Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inh... | 25466197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25466197 | 10.1016/j.bmcl.2014.11.003 | Cannabinoid receptor 2 | 2 |
| 25466197 | 10.1016/j.bmcl.2014.11.003 | Cannabinoid receptor 1 | 2 |
| 25466197 | 10.1016/j.bmcl.2014.11.003 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine