N-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)-4-cyanobenzamide
SMILES | C1CC(N(CC1CNC(=O)C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl |
InChIKey | LXFIHJWTYGZELH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 497.1 |
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 |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.3 | 8.3 | 8.3 | PDSP Ki database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 5.85 | 5.85 | 5.85 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |