Compound Detail
CHEMBL398907
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Basic Information
| ChEMBL ID | CHEMBL398907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMLRNNWWEGAXRE-QZTJIDSGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
5.80
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.70
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.63 | 7.63 | 23.6 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.53 | 6.53 | 297.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 23.6 | nM | 7.63 | Binding affinity to CB2 receptor | 17521177 |
| Cannabinoid receptor 1 | Ki | = | 297.0 | nM | 6.53 | Binding affinity to CB1 receptor | 17521177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 1 | 1 |
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine