Compound Detail
CHEMBL460544
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Basic Information
| ChEMBL ID | CHEMBL460544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGEMJULJOYKTBN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.3
MW (Da)
5.76
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.78 | 8.78 | 1.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1.66 | nM | 8.78 | Binding affinity to human CB2 receptor transfected in HEK293 cells | 19230659 |
| Cannabinoid receptor 2 | Ki | = | 1.66 | nM | 8.78 | CB2 Receptor Binding Protocol: 15.3 ug of membranes (20 ul of 1:20 dilution in i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19230659 | 10.1016/j.bmcl.2009.01.100 | Cannabinoid receptor 2 | 1 |
| 19230659 | 10.1016/j.bmcl.2009.01.100 | Cannabinoid receptor 1 | 1 |
| 19230659 | 10.1016/j.bmcl.2009.01.100 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine