Details of the Drug

General Information of Drug (ID: DMSNVGB)

• Drug Name: Echothiophate Iodide
• Synonyms: Echodide; Phospholine; Diethoxyphosphinylthiocholine iodide; ECOTHIOPATE IODIDE; Ecostigmini jodidum; Ecothiopati iodidum; Ecothiophate iodide; Ioduro de ecotiopato; Phospholine iodide; Diethoxyphosphoryl-thiocholine iodide; Echothiophate iodide (USP); Ecothiopati iodidum [INN-Latin]; Iodide, Echothiophate; Iodide, Ecothiopate; Iodide, Ecothiophate; Iodide, Phospholine; Iodure d'ecothiopate; Ioduro de ecotiopato [INN-Spanish]; Phospholine (the pharmaceutical); Phospholine Iodide (TN); Phospholine iodide (TN); Ecothiopate iodide (JP15/INN); Iodure d'ecothiopate [INN-French]; N-(2-(Diethoxyphosphinylthio)ethyl)trimethylammonium iodide; O,O-Diethyl S-2-trimethylammonium ethylphosphonothiolate iodide; S-Ester of (2-mercaptoethyl)trimethylammonium iodide with O,O-diethyl phosphorothioate; S-beta-dimethylaminoethyl-O,O-diethylthionophosphate methiodide; S-(2-Dimethylaminoethyl)-O.O-diethylphosphorothioate methiodide; S-(2-dimethylaminoethyl)-O,O-diethylphosphorothioate methiodide; Ammonium, (2-(O,O-diethylphosphorothio)ethyl)trimethyl-, iodide; Ammonium, (2-mercaptoethyl)trimethyl-, iodide, S-ester with O,O-diethylphosphorothioate; S-(2-(N,N,N-Trimethylammonio)ethyl) O,O-diethylphosphorothiolate iodide; Ethanaminium, 2-((diethoxyphosphinyl)thio)-N,N,N-trimethyl-, iodide; (2-Mercaptoethyl)trimethylammonium iodide S-ester with O,O-diethyl phosphorothioate; (2-mercaptoethyl)trimethylammonium iodidie O,O-diethyl phosphorothioate; 2-((Diethoxyphosphinyl)thio)-N,N,N,-trimethylethanaminium iodide; 2-Diaethoxyphosphinyl-thioaethyl-trimethyl-ammonium-jodid; 2-Diaethoxyphosphinyl-thioaethyl-trimethyl-ammonium-jodid [German]; 2-Diethoxy-phosphinylthioethyl-trimethylammonium iodide; 2-[(diethoxyphosphinyl)thio]-N,N,N-trimethylethanaminium iodide; 2-[(diethoxyphosphoryl)sulfanyl]-N,N,N-trimethylethanaminium iodide; 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium iodide; 2-{[bis(ethyloxy)phosphoryl]thio}-N,N,N-trimethylethanaminium iodide; 217 MI; 217-mi

Indication

Disease Entry	ICD 11	Status	REF
Chronic glaucoma	9C61.0Z	Approved	[1]

• Therapeutic Class: Parasympathomimetics
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 383.23
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 8
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C9H23INO3PS
  IUPAC Name: 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium;iodide
  Canonical SMILES: CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-]
  InChI: InChI=1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1
  InChIKey: OVXQHPWHMXOFRD-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 10547
  ChEBI ID: CHEBI:59849
  CAS Number: 513-10-0
  TTD ID: D0U8AT
  ACDINA ID: D01027

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Modulator	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Albumin (ALB)	OTVMM513	ALBU_HUMAN	Protein Interaction/Cellular Processes	[3]
Cholinesterase (BCHE)	OTOH3WQ9	CHLE_HUMAN	Gene/Protein Processing	[4]

Molecular Expression Atlas of This Drug

• The Studied Disease: Chronic glaucoma
• ICD Disease Classification: 9C61.0Z

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

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Potassium acetate	E00430	517044	Film/membrane-forming agent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Echothiophate Iodide 0.125% solution	0.13%	Solution	Ophthalmic

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 011963.
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [3] Albumin, a new biomarker of organophosphorus toxicant exposure, identified by mass spectrometry. Toxicol Sci. 2005 Feb;83(2):303-12. doi: 10.1093/toxsci/kfi023. Epub 2004 Nov 3.
• [4] Butyrylcholinesterase, paraoxonase, and albumin esterase, but not carboxylesterase, are present in human plasma. Biochem Pharmacol. 2005 Nov 25;70(11):1673-84.