Compound Detail
CHEMBL3639852
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CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCC[N+]2(C)[O-])s1
Basic Information
| ChEMBL ID | CHEMBL3639852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJFBNGVHZYYNAH-UBSSXDTCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
5.27
ALogP
6
HBA
0
HBD
75.9
PSA (Ų)
0.37
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL2470 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 12.0 | nM | 7.92 | Radioligand Binding Assay: HEK293 cells stably expressing human CB2 receptors we... | - |
| Cannabinoid receptor 2 | Ki | = | 24.0 | nM | 7.62 | Radioligand Binding Assay: HEK293 cells stably expressing human CB2 receptors we... | - |
Data from ChEMBL 36 via Core Engine