Compound Detail
CHEMBL3647334
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CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1cccnc1
Basic Information
| ChEMBL ID | CHEMBL3647334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWRKHIVLDAAWQV-WMMMYUQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
519.6
MW (Da)
5.56
ALogP
6
HBA
2
HBD
88.4
PSA (Ų)
0.40
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL2470 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.77 | nM | 9.11 | Radioligand Binding Assays: The CB1 and CB2 radioligand binding assays described... | - |
| Cannabinoid receptor 2 | Ki | = | 1.6 | nM | 8.8 | Radioligand Binding Assays: The CB1 and CB2 radioligand binding assays described... | - |
Data from ChEMBL 36 via Core Engine