Compound Detail
CHEMBL72163
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Basic Information
| ChEMBL ID | CHEMBL72163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBRYZURBFBBXQX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.4
MW (Da)
4.35
ALogP
5
HBA
0
HBD
60.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.23 | 7.23 | 59.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.59 | 5.59 | 2553.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 59.0 | nM | 7.23 | Evaluated for binding affinity against recombinant human peripheral cannabinoid ... | - |
| Cannabinoid receptor 1 | Ki | = | 2553.0 | nM | 5.59 | Evaluated for binding affinity against recombinant human central cannabinoid rec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00426-X | Cannabinoid receptor 2 | 1 |
| - | 10.1016/0960-894X(96)00426-X | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine