Compound Detail
CHEMBL250427
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Basic Information
| ChEMBL ID | CHEMBL250427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGZLXAWPOJSOQB-RTBURBONSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.5
MW (Da)
6.15
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
EC50 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.87 | 7.87 | 13.5 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.7 | 7.7 | 20.1 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 13.5 | nM | 7.87 | Agonist activity at human CB2 receptor by GTPgamma[35S] assay | 17884494 |
| Cannabinoid receptor 1 | Ki | = | 20.1 | nM | 7.7 | Binding affinity to human CB1 receptor | 17884494 |
| Cannabinoid receptor 2 | Ki | = | 140.0 | nM | 6.85 | Binding affinity to human CB2 receptor | 17884494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17884494 | 10.1016/j.bmcl.2007.09.019 | Cannabinoid receptor 2 | 3 |
| 17884494 | 10.1016/j.bmcl.2007.09.019 | Cannabinoid receptor 1 | 1 |
| 17884494 | 10.1016/j.bmcl.2007.09.019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine