Synonyms: | |
Status: | Approved (1962) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | N02CA04 |
UNII: | XZA9HY6Z98 |
InChI Key | KPJZHOPZRAFDTN-ZRGWGRIASA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C21H27N3O2 |
Molecular Weight | 353.47 |
AlogP | 1.94 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 57.5 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 26.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 18 | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | 32 | - | 1-2 | 97 | |
Membrane receptor
|
- | 32 | - | 1-2 | 97 | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 33070 | - | - | - |
Resources | Reference |
---|---|
ChEBI | 584020 |
ChEMBL | CHEMBL485253 |
DrugBank | DB00247 |
FDA SRS | XZA9HY6Z98 |
Human Metabolome Database | HMDB0014392 |
PubChem | 9681 |
SureChEMBL | SCHEMBL467883 |