EDROPHONIUM CHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII QO611KSM5P
EPA CompTox DTXSID1022978

Structure

InChI Key BXKDSDJJOVIHMX-UHFFFAOYSA-N
Smiles CC[N+](C)(C)c1cccc(O)c1.[Cl-]
InChI
InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16ClNO
Molecular Weight 201.7
AlogP 1.98
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 50-500 - 200-800 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 79.44-93.08
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 50 - - -
Cricetulus griseus
- - - - 79.44-93.08
Homo sapiens
- 200 - 790-800 -
Octopus
- 500 - 400 -

Target Conservation

Protein: Acetylcholinesterase
Description: Acetylcholinesterase
Organism : Homo sapiens
P22303 ENSG00000087085

Cross References

Resources Reference
CAS NUMBER 116-38-1
ChEBI 4759
ChEMBL CHEMBL1128
FDA SRS QO611KSM5P
PubChem 8307
SureChEMBL SCHEMBL34789
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