duloxetine [3105]
duloxetine
| SMILES | CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |
| InChIKey | ZEUITGRIYCTCEM-KRWDZBQOSA-N |
Chemical Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Log P | 4.631 |
| Molecular weight (Da) | 297.1 |
| Stereochemistry info | full |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
duloxetine
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0