CITALOPRAM HYDROBROMIDE

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Synonyms
Status
Molecule Category Salt-form
UNII I1E9D14F36
EPA CompTox DTXSID40872344

Structure

InChI Key WIHMBLDNRMIGDW-UHFFFAOYSA-N
Smiles Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChI
InChI=1S/C20H21FN2O.BrH/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;/h4-9,12H,3,10-11,14H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22BrFN2O
Molecular Weight 405.31
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 FDA Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 0.78 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.78 -
Plasmodium falciparum
- 794.33 - - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL1200781
FDA SRS I1E9D14F36
SureChEMBL SCHEMBL1118
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