Compound Detail
CHEMBL524822
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 | CHEMBL524822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POCUOUJJUBHVTI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
6.53
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.4 | 7.4 | 40.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.86 | 5.86 | 1379.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.86 | 5.86 | 1380.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 40.0 | nM | 7.4 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor | 19143566 |
| Cannabinoid receptor 2 | Ki | = | 39.99 | nM | 7.4 | Displacement of [3H]CP-55940 from human cloned CB2 receptor by filtration assay | 19249138 |
| Cannabinoid receptor 1 | Ki | = | 1379.0 | nM | 5.86 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor | 19143566 |
| Cannabinoid receptor 1 | Ki | = | 1380.38 | nM | 5.86 | Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay | 19249138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Unchecked | 2 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 1 | 1 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 2 | 1 |
| 19143566 | 10.1021/jm801044g | Unchecked | 1 |
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Cannabinoid receptor 1 | 1 |
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine