Compound Detail
CHEMBL116784
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Basic Information
| ChEMBL ID | CHEMBL116784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVXCIUSPFGDUJB-QZTJIDSGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
5.23
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.60
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 towards Cannabinoid receptor 2 using CP-55940 as radioligand in... | 14505654 |
| Cannabinoid receptor 1 | Ki | = | 297.0 | nM | 6.53 | Binding affinity towards Cannabinoid receptor 1 using CP-55940 as radioligand in... | 14505654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505654 | 10.1016/s0960-894x(03)00729-7 | Cannabinoid receptor 1 | 2 |
| 14505654 | 10.1016/s0960-894x(03)00729-7 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine