AMITRIPTYLINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 26LUD4JO9K
EPA CompTox DTXSID9033187
Parent Compound: AMITRIPTYLINE

Structure

InChI Key KFYRPLNVJVHZGT-UHFFFAOYSA-N
Smiles CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl
InChI
InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24ClN
Molecular Weight 313.87
AlogP 4.17
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR DailyMed
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
- - - - 53.22-80.45
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 53.22-80.45

Target Conservation

Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546
Protein: Serotonin transporter
Description: Sodium-dependent serotonin transporter
Organism : Homo sapiens
P31645 ENSG00000108576

Cross References

Resources Reference
ChEBI 2667
ChEMBL CHEMBL1200964
FDA SRS 26LUD4JO9K
Guide to Pharmacology 200
KEGG C06824
PDB TP0
PubChem 11065
SureChEMBL SCHEMBL41079
ZINC ZINC00968257
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