vortioxetine
SMILES | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 |
InChIKey | YQNWZWMKLDQSAC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 298.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKd | 7.3 | 7.3 | 7.3 | ChEMBL |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pKd | 4.54 | 4.54 | 4.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |