duloxetine   Click here for help

GtoPdb Ligand ID: 202

Synonyms: Cymbalta® | LY248686
Approved drug PDB Ligand
duloxetine is an approved drug (FDA & EMA (2004))
Compound class: Synthetic organic
Comment: Duloxetine is a selective serotonin and norepinephrine reuptake inhibitor (SSNRI) antidepressant.
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View more information in the IUPHAR Pharmacology Education Project: duloxetine

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 49.5
Molecular weight 297.12
XLogP 4.05
No. Lipinski's rules broken 0
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Canonical SMILES CNCCC(c1cccs1)Oc1cccc2c1cccc2
Isomeric SMILES CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2
InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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Summary of Clinical Use Click here for help
Duloxetine is primarily used to treat major depressive and general anxiety disorders. Duloxetine is also used to treat chronic pain conditions such as fibromyalgia, chronic low back and osteoarthritis pain and diabetic neuropathy. Prescription formulations contain duloxetine hydrochloride (PubChem CID 608340.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Duloxetine is a potent inhibitor of neuronal serotonin (5-HT) and norepinephrine reuptake via the transporters SLC6A4 the SLC6A2 respectively. The pain inhibitory effect is believed to be due to the ablility of duloxetine to potentiate serotonergic and noradrenergic activity in the central nervous system.
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