Compound Detail
CHEMBL1822944
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Basic Information
| ChEMBL ID | CHEMBL1822944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKIGQSJUNJMMKL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.30
ALogP
5
HBA
2
HBD
93.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 10.7 | 10.7 | 0.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.02 | nM | 10.7 | Binding affinity to CB2 receptor | 21872477 |
| Cannabinoid receptor 2 | Ki | = | 0.02 | nM | 10.7 | Binding affinity to CB2 receptor (unknown origin) | 25644673 |
| Cannabinoid receptor 2 | Ki | = | 0.02 | nM | 10.7 | Binding affinity to CB2 receptor (unknown origin) | 25644673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25644673 | 10.1016/j.ejmech.2015.01.054 | Cannabinoid receptor 2 | 2 |
| 21872477 | 10.1016/j.bmc.2011.07.062 | Cannabinoid receptor 2 | 1 |
| 21872477 | 10.1016/j.bmc.2011.07.062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine