Compound Detail
CHEMBL108085
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL108085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPWFAMUJAQBGOG-WOJBJXKFSA-N |
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
400.6
MW (Da)
6.17
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.7 | 9.6733 | 0.2 | 3 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 9.66 | 9.66 | 0.2 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.3 | 9.285 | 0.5 | 4 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 9.28 | 9.28 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.2 | nM | 9.7 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | Ki | = | 0.22 | nM | 9.66 | Compound was tested for its binding affinity against mouse spleen Cannabinoid re... | 12852753 |
| Cannabinoid receptor 2 | Ki | = | 0.22 | nM | 9.66 | Binding affinity to CB2 receptor | 17521177 |
| Cannabinoid receptor 2 | Ki | = | 0.2188 | nM | 9.66 | Binding affinity to CB2 receptor | 17521177 |
| Cannabinoid receptor 1 | Ki | = | 0.5 | nM | 9.3 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
| Cannabinoid receptor 1 | Ki | = | 0.52 | nM | 9.28 | Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55940 | 12852753 |
| Cannabinoid receptor 1 | Ki | = | 0.5248 | nM | 9.28 | Binding affinity at CB1 receptor | 17980589 |
| Cannabinoid receptor 1 | Ki | = | 0.52 | nM | 9.28 | Binding affinity to CB1 receptor | 17521177 |
| Cannabinoid receptor 1 | Ki | = | 0.5248 | nM | 9.28 | Binding affinity to CB1 receptor | 17521177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 1 | 2 |
| 17521177 | 10.1021/jm0610705 | Cannabinoid receptor 2 | 2 |
| 12852753 | 10.1021/jm020558c | Cannabinoid receptor 1 | 1 |
| 12852753 | 10.1021/jm020558c | Cannabinoid receptor 2 | 1 |
| 17980589 | 10.1016/j.bmcl.2007.10.044 | Cannabinoid receptor 1 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 1 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine