Studies on the SAR and pharmacophore of milnacipran derivatives as monoamine transporter inhibitors.

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Chen C, Dyck B, Fleck BA, Foster AC, Grey J, Jovic F, Mesleh M, Phan K, Tamiya J, Vickers T, Zhang M

Studies on the SAR and pharmacophore of milnacipran derivatives as monoamine transporter inhibitors.

Bioorg Med Chem Lett. 2008 Feb 15;18(4):1346-9. doi: 10.1016/j.bmcl.2008.01.011. Epub 2008 Jan 9.

PubMed ID
18207394 [ View in PubMed
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Abstract

Derivatives of milnacipran were synthesized and studied as monoamine transporter inhibitors. Potent analogs were discovered at NET (9k) and at both NET and SERT (9s and 9u). A pharmacophore model was established based on the conformational analysis of milnacipran in aqueous solution using NMR techniques and was consistent with the SAR results.

DrugBank Data that Cites this Article

Binding Properties
DrugTargetPropertyMeasurementpHTemperature (°C)
AtomoxetineSodium-dependent noradrenaline transporterIC 50 (nM)5.1N/AN/ADetails
AtomoxetineSodium-dependent serotonin transporterIC 50 (nM)190N/AN/ADetails
DuloxetineSodium-dependent dopamine transporterIC 50 (nM)660N/AN/ADetails
DuloxetineSodium-dependent noradrenaline transporterIC 50 (nM)8.9N/AN/ADetails
DuloxetineSodium-dependent serotonin transporterIC 50 (nM)6.6N/AN/ADetails
LevomilnacipranSodium-dependent noradrenaline transporterIC 50 (nM)77N/AN/ADetails
LevomilnacipranSodium-dependent serotonin transporterIC 50 (nM)420N/AN/ADetails