paroxetine

Ligand id: 4790

Name: paroxetine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 39.72
Molecular weight 329.14
XLogP 4.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1992))
IUPAC Name
(3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
International Nonproprietary Names
INN number INN
4327 paroxetine
Synonyms
paroxetine hydrochloride (anhydrous or hemihydrate) | Paxil® | Seroxat®
Database Links
CAS Registry No. 61869-08-7 (source: Scifinder)
ChEBI CHEBI:7936
ChEMBL Ligand CHEMBL490
DrugBank Ligand DB00715
PubChem CID 43815
RCSB PDB Ligand 8PR
Search Google for chemical match using the InChIKey AHOUBRCZNHFOSL-YOEHRIQHSA-N
Search Google for chemicals with the same backbone AHOUBRCZNHFOSL
Search PubMed clinical trials paroxetine
Search PubMed titles paroxetine
Search PubMed titles/abstracts paroxetine
Search UniChem for chemical match using the InChIKey AHOUBRCZNHFOSL-YOEHRIQHSA-N
Search UniChem for chemicals with the same backbone AHOUBRCZNHFOSL
SynPHARM 13002 (in complex with SERT)
83552 (in complex with SERT)
Wikipedia Paroxetine
Comments
Paroxetine is a selective serotonin-reuptake inhibitor (SSRI) antidepressant. An X-ray structure of crystals of paroxetine bound SERT, shows a single central binding site [1] (see PDB entry 5I6X)..