Synonyms: | |
Status: | Approved (1967) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N06AA11 |
UNII: | 4NDU154T12 |
InChI Key | BWPIARFWQZKAIA-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H21N |
Molecular Weight | 263.38 |
AlogP | 4.3 |
Hydrogen Bond Acceptor | 1.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 12.03 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 20.0 |
Primary Target | |
---|---|
NET | |
SERT |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 70 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 1-17 | 1 | 2-7 | - |
Resources | Reference |
---|---|
CAS NUMBER | 438-60-8 |
ChEBI | 8597 |
ChEMBL | CHEMBL668 |
DrugBank | DB00344 |
DrugCentral | 2320 |
EPA CompTox | DTXSID0023535 |
FDA SRS | 4NDU154T12 |
Human Metabolome Database | HMDB0014488 |
Guide to Pharmacology | 7285 |
KEGG | C07408 |
PharmGKB | PA451168 |
PubChem | 4976 |
SureChEMBL | SCHEMBL34267 |
ZINC | ZINC000001530764 |