CHEMBL3914042
SMILES | O=S(=O)(NCC1CC1)c1ccc(NC2CCCCCC2)cc1C(F)(F)F |
InChIKey | XRTKQERZAXKTBR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 390.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 7.48 | 7.56 | 7.64 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 5.22 | 5.22 | 5.22 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 7.11 | 7.27 | 7.43 | ChEMBL |