fluoxetine

Ligand id: 203

Name: fluoxetine

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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 7
Topological polar surface area 21.26
Molecular weight 309.13
XLogP 6.38
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1987))
IUPAC Name
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
International Nonproprietary Names
INN number INN
3883 fluoxetine
Synonyms
Prozac®
Database Links
BindingDB Ligand 30130
CAS Registry No. 54910-89-3
ChEBI CHEBI:5118
ChEMBL Ligand CHEMBL41
DrugBank Ligand DB00472
GtoPdb PubChem SID 135650270
PubChem CID 3386
Search Google for chemical match using the InChIKey RTHCYVBBDHJXIQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RTHCYVBBDHJXIQ
Search PubMed clinical trials fluoxetine
Search PubMed titles fluoxetine
Search PubMed titles/abstracts fluoxetine
Search UniChem for chemical match using the InChIKey RTHCYVBBDHJXIQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RTHCYVBBDHJXIQ
Wikipedia Fluoxetine
Comments
The approved drug fluoxetine is a racemic mixture of two enantiomers; (R)-fluoxetine and (S)-Fluoxetine. The structure shown here does not specify stereochemistry and represents the mixture. The two PDB links listed above represent the two enantiomers. Fluoxetine is metabolised in the body to active metabolite norfluoxetine.