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 |
MT1 | MTR1A | Human | Melatonin | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
MT1 | MTR1A | Human | Melatonin | A | pKi | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
MT2 | MTR1B | Human | Melatonin | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
MT2 | MTR1B | Human | Melatonin | A | pKi | 10.2 | 10.2 | 10.2 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |