edrophonium   

GtoPdb Ligand ID: 9073

Synonyms: Enlon® | Tensilon®
edrophonium is an approved drug (FDA (1951))
Compound class: Synthetic organic
Comment: Edrophonium is the parent molecule of the clinically used rapid-onset, short-acting cholinesterase inhibitor edrophonium chloride (PubChem CID 8307).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 20.23
Molecular weight 166.12
XLogP 1.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC[N+](c1cccc(c1)O)(C)C
Isomeric SMILES CC[N+](c1cccc(c1)O)(C)C
InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
InChI Key VWLHWLSRQJQWRG-UHFFFAOYSA-O
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
acetylcholinesterase (Cartwright blood group) Hs Inhibitor Inhibition 6.7 pKi - 1
pKi 6.7 (Ki 2x10-7 M) [1]
Description: Using the chloride salt