CHEMBL3986120
SMILES | COc1ccc(Nc2ccc(S(=O)(=O)NCC3CC3)c(C(F)(F)F)c2)c(OC)c1 |
InChIKey | ZAQBSZZVXZEIRK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 430.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 7.21 | 7.21 | 7.21 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.09 | 6.27 | 6.44 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 5.85 | 6.04 | 6.22 | ChEMBL |