Duloxetine
Duloxetine is a competitive inhibitor of BChE with an inhibition constant (K i) of 210 nM. Duloxetine is a dual serotonin and norepinephrine reuptake inhibitor. It was originally discovered in 1993 and developed by Eli Lilly and Company as LY248686. Duloxetine first received approval from the FDA in August, 2004 as Cymbalta for the treatment of Major Depressive Disorder. It has since received approval for a variety of indications including the treatment of neuropathic pain, Generalized Anxiety disorder, osteoarthritis, and stress incontinence.
General
Type : Drug, Multitarget, Sodium:neurotransmitter symporter, Naphthalen, Sulfur Compound, Thiophen
Chemical_Nomenclature : (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
Canonical SMILES : CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32
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
InChIKey : ZEUITGRIYCTCEM-KRWDZBQOSA-N
Other name(s) : (S)-Duloxetine || Yentreve || Cymbalta || CHEBI:36795 || SCHEMBL8291 || CHEMBL1175 || 29E
MW : 297.4
Formula : C18H19NOS
CAS_number : 116539-59-4
PubChem : 60835
UniChem : ZEUITGRIYCTCEM-KRWDZBQOSA-N
Target
Families : Duloxetine ligand of proteins in family
BCHE
Protein :
human-BCHE
References (4)
| Title : Repurposing Duloxetine as a Potent Butyrylcholinesterase Inhibitor: Potential Cholinergic Enhancing Benefits for Elderly Individuals with Depression and Cognitive Impairment - Darreh-Shori_2024_ACS.Omega_9_37299 |
| Author(s) : Darreh-Shori T , Baidya ATK , Brouwer M , Kumar A , Kumar R |
| Ref : ACS Omega , 9 :37299 , 2024 |
| Abstract : |
| PubMedSearch : Darreh-Shori_2024_ACS.Omega_9_37299 |
| PubMedID: 39246500 |
| Title : Disproportionality analysis in VigiBase as a drug repositioning method for the discovery of potentially useful drugs in Alzheimer's disease - Chretien_2021_Br.J.Clin.Pharmacol_87_2830 |
| Author(s) : Chretien B , Jourdan JP , Davis A , Fedrizzi S , Bureau R , Sassier M , Rochais C , Alexandre J , Lelong-Boulouard V , Dolladille C , Dallemagne P |
| Ref : British Journal of Clinical Pharmacology , 87 :2830 , 2021 |
| Abstract : |
| PubMedSearch : Chretien_2021_Br.J.Clin.Pharmacol_87_2830 |
| PubMedID: 33274491 |
| Title : Demonstrating the Role of Anticholinergic Activity in a Mood Disorder - Hori_2015_Neurodegener.Dis_15_175 |
| Author(s) : Hori K , Konishi K , Hanashi T , Tani M , Tomioka H , Kitajima Y , Akashi N , Inamoto A , Kurosawa K , Hasegawa S , Izuno T , Kikuchi N , Hosoi M , Hachisu M |
| Ref : Neurodegener Dis , 15 :175 , 2015 |
| Abstract : |
| PubMedSearch : Hori_2015_Neurodegener.Dis_15_175 |
| PubMedID: 26138496 |
| Title : Multiplicative interactions to enhance gabapentin to treat neuropathic pain - Hayashida_2008_Eur.J.Pharmacol_598_21 |
| Author(s) : Hayashida K , Eisenach JC |
| Ref : European Journal of Pharmacology , 598 :21 , 2008 |
| Abstract : |
| PubMedSearch : Hayashida_2008_Eur.J.Pharmacol_598_21 |
| PubMedID: 18822281 |