Details of the Drug

General Information of Drug (ID: DMCRQHB)

• Drug Name: Edrophonium
• Synonyms: EDR; Edrophonum; Edroponium; Reversol; Tensilon; EDROPHONIUM ION; Edrophone Chloride; Enlon Plus; ENLON-PLUS; Enlon (TN); Reversol (TN); Tensilon (TN); Ethyl-(3-hydroxyphenyl)-dimethylazanium; Ethyl-(3-hydroxy-phenyl)-dimethyl-ammonium; N-ethyl-3-hydroxy-N,N-dimethylanilinium; N-ethyl-3-hydroxy-N,N-dimethylbenzenaminium; (3-hydroxyphenyl)dimethylethylammonium; 3-hydroxy-N,N-dimethyl-N-ethylanilinium

Indication

Disease Entry	ICD 11	Status	REF
Myasthenia gravis	8C6Y	Approved	[1]

• Therapeutic Class: Antidotes
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 166.24
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• ADMET Property:
  Absorption: The drug is rapidly absorbed []
  Clearance: The drug present in the plasma can be removed from the body at the rate of 9.6 mL/min/kg [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 33 - 110 minutes [2]
  Vd: The volume of distribution (Vd) of drug is 1.6 +/- 0.4 L/kg []
• Chemical Identifiers:
  Formula: C10H16NO+
  IUPAC Name: ethyl-(3-hydroxyphenyl)-dimethylazanium
  Canonical SMILES: CC[N+](C)(C)C1=CC(=CC=C1)O
  InChI: InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
  InChIKey: VWLHWLSRQJQWRG-UHFFFAOYSA-O
• Cross-matching ID:
  PubChem CID: 3202
  ChEBI ID: CHEBI:251408
  CAS Number: 312-48-1
  DrugBank ID: DB01010
  TTD ID: D0S5LH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Gene/Protein Processing	[4]

Molecular Expression Atlas of This Drug

• The Studied Disease: Myasthenia gravis
• ICD Disease Classification: 8C6Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Edrophonium

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Neostigmine	DM6T2J3	Moderate	Additive cholinergic effects by the combination of Edrophonium and Neostigmine.	Myasthenia gravis [8C6Y]	[5]

Coadministration of a Drug Treating the Disease Different from Edrophonium (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Bethanechol	DMCLHO0	Moderate	Additive cholinergic effects by the combination of Edrophonium and Bethanechol.	Abnormal micturition [MF50]	[5]
Mepenzolate	DM8YU2F	Moderate	Antagonize the effect of Edrophonium when combined with Mepenzolate.	Digestive system disease [DE2Z]	[6]
Oxybutynine	DMJPBAX	Moderate	Antagonize the effect of Edrophonium when combined with Oxybutynine.	Discovery agent [N.A.]	[6]
Solifenacin	DMG592Q	Moderate	Antagonize the effect of Edrophonium when combined with Solifenacin.	Functional bladder disorder [GC50]	[6]
Tolterodine	DMSHPW8	Moderate	Antagonize the effect of Edrophonium when combined with Tolterodine.	Functional bladder disorder [GC50]	[6]
Belladonna	DM2RBWK	Moderate	Antagonize the effect of Edrophonium when combined with Belladonna.	Infectious gastroenteritis/colitis [1A40]	[6]
Thalidomide	DM70BU5	Moderate	Increased risk of ventricular arrhythmias by the combination of Edrophonium and Thalidomide.	Multiple myeloma [2A83]	[7]
Siponimod	DM2R86O	Major	Increased risk of atrioventricular block by the combination of Edrophonium and Siponimod.	Multiple sclerosis [8A40]	[7]
Fingolimod	DM5JVAN	Moderate	Increased risk of bradycardia by the combination of Edrophonium and Fingolimod.	Multiple sclerosis [8A40]	[8]
Ozanimod	DMT6AM2	Moderate	Increased risk of atrioventricular block by the combination of Edrophonium and Ozanimod.	Multiple sclerosis [8A40]	[9]
Flavoxate	DMKV4NL	Moderate	Antagonize the effect of Edrophonium when combined with Flavoxate.	Pain [MG30-MG3Z]	[6]
Methylscopolamine	DM5VWOB	Moderate	Antagonize the effect of Edrophonium when combined with Methylscopolamine.	Peptic ulcer [DA61]	[6]
Procainamide	DMNMXR8	Moderate	Antagonize the effect of Edrophonium when combined with Procainamide.	Ventricular tachyarrhythmia [BC71]	[6]

References

• [1] FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 040131.
• [2] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [3] Screening of acetylcholinesterase inhibitors by CE after enzymatic reaction at capillary inlet. J Sep Sci. 2009 May;32(10):1748-56.
• [4] Effect of reversible ligands on oxime-induced reactivation of sarin- and cyclosarin-inhibited human acetylcholinesterase. Toxicol Lett. 2015 Feb 3;232(3):557-65.
• [5] Product Information. Aricept (donepezil). Pfizer US Pharmaceuticals, New York, NY.
• [6] Product Information. Mestinon (pyridostigmine). ICN Pharmaceuticals Inc, Cost Mesa, CA.
• [7] Cerner Multum, Inc. "Australian Product Information.".
• [8] Product Information. Gilenya (fingolimod). Novartis Pharmaceuticals, East Hanover, NJ.
• [9] Product Information. Zeposia (ozanimod). Celgene Corporation, Summit, NJ.