Compound Detail
CHEMBL3397520
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 | CHEMBL3397520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUWUESCHMQVOMB-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
6.17
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.94
Kd 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.94 | 7.27 | 11.5 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Kd | 6.1 | 6.1 | 794.3 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.83 | 5.83 | 1494.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 11.48 | nM | 7.94 | Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HE... | 25486424 |
| Cannabinoid receptor 2 | Ki | = | 249.0 | nM | 6.6 | Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membra... | 27078864 |
| Cannabinoid receptor 2 | Kd | = | 794.33 | nM | 6.1 | Competitive antagonist activity at human CB2 receptor expressed in CHO membranes... | 25486424 |
| Cannabinoid receptor 1 | Ki | = | 1494.0 | nM | 5.83 | Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HE... | 25486424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25486424 | 10.1016/j.ejmech.2014.11.066 | Cannabinoid receptor 2 | 6 |
| 27078864 | 10.1016/j.ejmech.2016.03.072 | Cannabinoid receptor 2 | 4 |
| 25486424 | 10.1016/j.ejmech.2014.11.066 | Cannabinoid receptor 1 | 2 |
| 25486424 | 10.1016/j.ejmech.2014.11.066 | Unchecked | 1 |
| 27078864 | 10.1016/j.ejmech.2016.03.072 | Cannabinoid receptor 1 | 1 |
| 27078864 | 10.1016/j.ejmech.2016.03.072 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine