milnacipran   Click here for help

GtoPdb Ligand ID: 7436

Synonyms: Savella®
Approved drug
milnacipran is an approved drug (FDA (2009))
Compound class: Synthetic organic
Comment: Milnacipran is approved as a racemic mixture of enantiomers. We show the non-isomeric structure to represent the mixture.
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View more information in the IUPHAR Pharmacology Education Project: milnacipran

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 46.33
Molecular weight 246.17
XLogP 1.91
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCC1CC1(c1ccccc1)C(=O)N(CC)CC
Isomeric SMILES NCC1CC1(c1ccccc1)C(=O)N(CC)CC
InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3
InChI Key GJJFMKBJSRMPLA-UHFFFAOYSA-N
Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
NET Primary target of this compound Hs Inhibitor Inhibition 9.1 pIC50 - 3
pIC50 9.1 (IC50 7.94x10-10 M) [3]
SERT Primary target of this compound Hs Inhibitor Inhibition 7.3 pIC50 - 3
pIC50 7.3 (IC50 5.012x10-8 M) [3]