FLUOXETINE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII I9W7N6B1KJ
EPA CompTox DTXSID7020635

Structure

InChI Key GIYXAJPCNFJEHY-UHFFFAOYSA-N
Smiles CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl
InChI
InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19ClF3NO
Molecular Weight 345.79
AlogP 4.44
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 21.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Serotonin transporter inhibitor INHIBITOR PubMed PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 72 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 150 - 1.1-784 4.7-44
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 150 - 1.1-72 4.7-44
Mus musculus
- - - - 58.59
Rattus norvegicus
- - - 2-784 -

Target Conservation

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

Cross References

Resources Reference
ChEBI 145458
ChEMBL CHEMBL1201082
FDA SRS I9W7N6B1KJ
SureChEMBL SCHEMBL33384
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