Compound Detail
CHEMBL525067
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Basic Information
| ChEMBL ID | CHEMBL525067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRPLLIGFYQLTCL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.3
MW (Da)
6.40
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.97 | 8.97 | 1.1 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.03 | 7.03 | 93.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1.07 | nM | 8.97 | Binding affinity to human CB2 receptor transfected in HEK293 cells | 19230659 |
| Cannabinoid receptor 2 | Ki | = | 1.07 | nM | 8.97 | CB2 Receptor Binding Protocol: 15.3 ug of membranes (20 ul of 1:20 dilution in i... | - |
| Cannabinoid receptor 1 | Ki | = | 93.66 | nM | 7.03 | Binding affinity to human CB1 receptor transfected in HEK293 cells | 19230659 |
| Cannabinoid receptor 1 | Ki | = | 93.66 | nM | 7.03 | CB1 Receptor Binding Protocol: 8 ug of membranes (20 ul of 1:8 dilution in incub... | - |
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