Compound Detail
CHEMBL3647313
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CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCN1
Basic Information
| ChEMBL ID | CHEMBL3647313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQRONVULFWEDBS-DOGFXQGNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
5.00
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL2470 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 13.0 | nM | 7.89 | Radioligand Binding Assays: The CB1 and CB2 radioligand binding assays described... | - |
| Cannabinoid receptor 2 | Ki | = | 44.0 | nM | 7.36 | Radioligand Binding Assays: The CB1 and CB2 radioligand binding assays described... | - |
Data from ChEMBL 36 via Core Engine