Compound Detail
CHEMBL224697
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Basic Information
| ChEMBL ID | CHEMBL224697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGWFFLZCBHWTEM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
6.94
ALogP
1
HBA
2
HBD
24.1
PSA (Ų)
0.37
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.9
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 1250.0 | nM | 5.9 | Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay | 16279809 |
| Cannabinoid receptor 1 | Ki | = | 1500.0 | nM | 5.82 | Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells | 16279809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279809 | 10.1021/jm0503906 | Cannabinoid receptor 1 | 4 |
| 16279809 | 10.1021/jm0503906 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine