Compound Detail
CHEMBL418366
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Basic Information
| ChEMBL ID | CHEMBL418366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVEVTMWLRZZDCH-LEWJYISDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.7
MW (Da)
7.72
ALogP
4
HBA
2
HBD
40.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 7.3 | 7.3 | 50.4 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.87 | 6.87 | 136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 50.4 | nM | 7.3 | The compound was evaluated for its affinity towards cannabinoid receptor 2 (CB2)... | 9544219 |
| Cannabinoid receptor 1 | Ki | = | 136.0 | nM | 6.87 | The compound was evaluated for its affinity towards cannabinoid receptor 1 (CB1)... | 9544219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544219 | 10.1021/jm970277i | Cannabinoid receptor 1 | 1 |
| 9544219 | 10.1021/jm970277i | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine