Trade Names | |
Synonyms | |
Status | |
Molecule Category | Salt-form |
UNII | 26LUD4JO9K |
EPA CompTox | DTXSID9033187 |
Parent Compound: | AMITRIPTYLINE |
InChI Key | KFYRPLNVJVHZGT-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C20H24ClN | |
Molecular Weight | 313.87 | |
AlogP | 4.17 | |
Hydrogen Bond Acceptor | 1.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 3.0 | |
Polar Surface Area | 3.24 | |
Molecular species | BASE | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 21.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
Norepinephrine transporter inhibitor | INHIBITOR | DailyMed |
Protein: Norepinephrine transporter Description: Sodium-dependent noradrenaline transporter Organism : Homo sapiens P23975 ENSG00000103546 |
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Protein: Serotonin transporter Description: Sodium-dependent serotonin transporter Organism : Homo sapiens P31645 ENSG00000108576 |
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Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 53 |
Resources | Reference | |
---|---|---|
ChEBI | 2667 | |
ChEMBL | CHEMBL1200964 | |
FDA SRS | 26LUD4JO9K | |
Guide to Pharmacology | 200 | |
KEGG | C06824 | |
PDB | TP0 | |
PubChem | 11065 | |
SureChEMBL | SCHEMBL41079 | |
ZINC | ZINC00968257 |