Compound Detail
CHEMBL600647
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Basic Information
| ChEMBL ID | CHEMBL600647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWELUXQZNVVTBE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.22
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 10.72 | 9.9033 | 0.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.019 | nM | 10.72 | Binding affinity to CB2 receptor (unknown origin) | 25644673 |
| Cannabinoid receptor 2 | Ki | = | 0.01901 | nM | 10.72 | Binding affinity to CB2 receptor (unknown origin) | 25644673 |
| Cannabinoid receptor 2 | Ki | = | 5.4 | nM | 8.27 | Displacement of [3H]CP-55940 from CB2 receptor | 20189815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20189815 | 10.1016/j.bmc.2010.02.011 | Cannabinoid receptor 1 | 2 |
| 20189815 | 10.1016/j.bmc.2010.02.011 | Cannabinoid receptor 2 | 2 |
| 25644673 | 10.1016/j.ejmech.2015.01.054 | Cannabinoid receptor 2 | 2 |
| 20189815 | 10.1016/j.bmc.2010.02.011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine