| Synonyms: | |
| Status: | Approved (1990) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N05AL04 |
| UNII: | 0223RD59PE |
| InChI Key | GUJRSXAPGDDABA-NSHDSACASA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H23BrN2O3 |
| Molecular Weight | 371.28 |
| AlogP | 2.68 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 50.8 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 22.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | ||
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 1400-1570 | - | 3872 | 62 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | - | 3981 | - | - | |
|
Membrane receptor
|
- | 1400-1570 | 3981 | 3872 | 62 |
| Resources | Reference |
|---|---|
| ChEBI | 92948 |
| ChEMBL | CHEMBL22242 |
| DrugBank | DB00409 |
| DrugCentral | 2365 |
| EPA CompTox | DTXSID6045668 |
| FDA SRS | 0223RD59PE |
| Human Metabolome Database | HMDB0014553 |
| PharmGKB | PA164749051 |
| PubChem | 54477 |
| SureChEMBL | SCHEMBL121339 |
| ZINC | ZINC000002021799 |