Compound Detail
CHEMBL3686334
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CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCCN2)s1
Basic Information
| ChEMBL ID | CHEMBL3686334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCWSSJHBNUNFAA-LYCCBFRSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
5.31
ALogP
6
HBA
1
HBD
64.8
PSA (Ų)
0.56
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL2470 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.6 | nM | 9.22 | Radioligand Binding Assay: HEK293 cells stably expressing human CB2 receptors we... | - |
| Cannabinoid receptor 2 | Ki | = | 0.7 | nM | 9.15 | Radioligand Binding Assay: HEK293 cells stably expressing human CB2 receptors we... | - |
Data from ChEMBL 36 via Core Engine