EDIVOXETINE

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Synonyms
Status
Molecule Category Free-form
UNII 3W9N3F4JOO
EPA CompTox DTXSID70152464

Structure

InChI Key CPBHSHYQQLFAPW-ZWKOTPCHSA-N
Smiles COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@@H]1CNCCO1
InChI
InChI=1S/C18H26FNO4/c1-22-16-3-2-15(19)10-13(16)11-18(21,14-4-7-23-8-5-14)17-12-20-6-9-24-17/h2-3,10,14,17,20-21H,4-9,11-12H2,1H3/t17-,18+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26FNO4
Molecular Weight 339.41
AlogP 1.52
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 59.95
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Norepinephrine transporter inhibitor INHIBITOR PubMed

Target Conservation

Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546

Cross References

Resources Reference
ChEMBL CHEMBL2103857
DrugBank DB09184
FDA SRS 3W9N3F4JOO
PubChem 11186829
SureChEMBL SCHEMBL14072285
ZINC ZINC000038342901
CONTENTS