rivastigmine   Click here for help

GtoPdb Ligand ID: 6602

Synonyms: Ena 713 free base | Exelon®
Approved drug
rivastigmine is an approved drug (FDA (2000), EMA (1998))
Compound class: Synthetic organic
Comment: Marketed formulations may contain rivastigmine hydrogen tartrate (PubChem CID 14254240).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 32.78
Molecular weight 250.17
XLogP 2.29
No. Lipinski's rules broken 0
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Canonical SMILES CCN(C(=O)Oc1cccc(c1)C(N(C)C)C)C
Isomeric SMILES CCN(C(=O)Oc1cccc(c1)[C@@H](N(C)C)C)C
InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
butyrylcholinesterase Primary target of this compound Hs Inhibitor Inhibition 7.4 pIC50 - 3
pIC50 7.4 (IC50 3.7x10-8 M) [3]
acetylcholinesterase (Yt blood group) Primary target of this compound Hs Inhibitor Inhibition 5.4 pIC50 - 3
pIC50 5.4 (IC50 4.15x10-6 M) [3]