duloxetine

Ligand id: 202

Name: duloxetine

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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 6
Topological polar surface area 49.5
Molecular weight 297.12
XLogP 5.84
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA & EMA (2004))
IUPAC Name
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
International Nonproprietary Names
INN number INN
7012 duloxetine
Synonyms
Cymbalta® | LY248686
Database Links
BindingDB Ligand 50136671
CAS Registry No. 116539-59-4
ChEBI CHEBI:36795
ChEMBL Ligand CHEMBL1175
DrugBank Ligand DB00476
GtoPdb PubChem SID 135650212
PubChem CID 60835
RCSB PDB Ligand 29E
Search Google for chemical match using the InChIKey ZEUITGRIYCTCEM-KRWDZBQOSA-N
Search Google for chemicals with the same backbone ZEUITGRIYCTCEM
Search PubMed clinical trials duloxetine
Search PubMed titles duloxetine
Search PubMed titles/abstracts duloxetine
Search UniChem for chemical match using the InChIKey ZEUITGRIYCTCEM-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone ZEUITGRIYCTCEM
Wikipedia Duloxetine
Comments
Duloxetine is a selective serotonin and norepinephrine reuptake inhibitor (SSNRI) antidepressant.