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
SMILES / InChI / InChIKey
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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
InChI Key XSVMFMHYUFZWBK-NSHDSACASA-N
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
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 (Cartwright blood group) Primary target of this compound Hs Inhibitor Inhibition 5.4 pIC50 - 3
pIC50 5.4 (IC50 4.15x10-6 M) [3]