Compound Detail
CHEMBL226223
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Basic Information
| ChEMBL ID | CHEMBL226223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLAIXBYIEGGFDP-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
4.56
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Ki 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 8.22 | 8.07 | 6.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.28 | 7.28 | 53.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 6.0 | nM | 8.22 | Antagonist activity at CB1 receptor by [35S]GTP-gamma-S binding assay | 17433696 |
| Cannabinoid receptor 1 | IC50 | = | 12.02 | nM | 7.92 | Antagonist activity against human recombinant cannabinoid-1 receptor | 19406638 |
| Cannabinoid receptor 1 | Ki | = | 53.0 | nM | 7.28 | Binding affinity to human CB1 receptor | 17513109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17433696 | 10.1016/j.bmc.2007.03.075 | Cannabinoid receptor 1 | 1 |
| 17513109 | 10.1016/j.bmcl.2007.04.087 | Cannabinoid receptor 1 | 1 |
| 19406638 | 10.1016/j.bmcl.2009.04.037 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine