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 |