CHEMBL3889879
SMILES | COc1cc(Nc2ccc(S(=O)(=O)NCC3CCCO3)c(F)c2)cc(OC)c1 |
InChIKey | VVLMARNQGHNNHD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 410.1 |
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 | 6.05 | 6.05 | 6.05 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 6.02 | 6.02 | 6.02 | ChEMBL |