ESCITALOPRAM OXALATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 5U85DBW7LO
EPA CompTox DTXSID1046003
Parent Compound: ESCITALOPRAM

Structure

InChI Key KTGRHKOEFSJQNS-BDQAORGHSA-N
Smiles CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O
InChI
InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23FN2O5
Molecular Weight 414.43
AlogP 3.81
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 36.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Serotonin transporter inhibitor INHIBITOR DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 1 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102.32-117.82
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 102.32-117.82
Homo sapiens
- - - 1 -

Target Conservation

Protein: Serotonin transporter
Description: Sodium-dependent serotonin transporter
Organism : Homo sapiens
P31645 ENSG00000108576

Cross References

Resources Reference
ChEMBL CHEMBL1200322
FDA SRS 5U85DBW7LO
PubChem 146571
SureChEMBL SCHEMBL35123
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