tasimelteon
SMILES | CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2 |
InChIKey | PTOIAAWZLUQTIO-GXFFZTMASA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 245.1 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.69 | 7.69 | 7.69 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |