Compound Detail
CHEMBL216659
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Basic Information
| ChEMBL ID | CHEMBL216659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMMQALVWGJPMOC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.3
MW (Da)
6.45
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 61.0 | nM | 7.21 | Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor | 17149879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149879 | 10.1021/jm060920d | Cannabinoid receptor 2 | 1 |
| 17149879 | 10.1021/jm060920d | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine