dapoxetine   Click here for help

GtoPdb Ligand ID: 7901

Synonyms: LY 210448 | LY-210448
Approved drug
dapoxetine is an approved drug (UK (2008))
Compound class: Synthetic organic
Comment: Dapoxetine hydrochloride (PubChem CID 71352) is the component used in marketed formulations.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 12.47
Molecular weight 305.18
XLogP 5.23
No. Lipinski's rules broken 1
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Canonical SMILES CN(C(c1ccccc1)CCOc1cccc2c1cccc2)C
Isomeric SMILES CN([C@H](c1ccccc1)CCOc1cccc2c1cccc2)C
InChI InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
SERT Primary target of this compound Hs Inhibitor Inhibition 8.9 pIC50 - 2
pIC50 8.9 (IC50 1.12x10-9 M) [2]
Description: Inhibition of the reuptake of [3H]5-HT