PAROXETINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 3I3T11UD2S
EPA CompTox DTXSID50228914
Parent Compound: PAROXETINE

Structure

InChI Key GELRVIPPMNMYGS-RVXRQPKJSA-N
Smiles Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1
InChI
InChI=1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21ClFNO3
Molecular Weight 365.83
AlogP 3.33
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 39.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Serotonin transporter inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 960 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 0.05-98 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 76.07-96.74
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 76.07-96.74
Homo sapiens
- 960 - - -
Rattus norvegicus
- - - 0.05-98 -

Target Conservation

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

Cross References

Resources Reference
ChEBI 7944
ChEMBL CHEMBL1708
FDA SRS 3I3T11UD2S
SureChEMBL SCHEMBL33348
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