Details of the Drug

General Information of Drug (ID: DMPO0MS)

• Drug Name: Gallamine Triethiodide
• Synonyms: Benzkurin; Flaxedil; Gallaflex; Parexyl; Pirolakson; Pyrolaxon; Relaxan; Remyolan; Retensin; Sincurarine; Syncurarine; Tricuran; Benzcurine iodide; Gallamin triethiodide; Gallamina triodoetilato; Gallamina triodoetilato [DCIT]; Gallamine iodide; Gallamine triethiodide [INN]; Gallamine triiodoethylate; Gallamini triethiodidum; Gallaminii iodidum; Gallaminum triaethjodidum; Gallaminum triaethoiodatum; Gallamone triethiodide; Gallamoni jodidum; Miowas G; Triethiodure de gallamine; Triethiodurode galamina; Triiodoethylate de gallamine; Triiodoethylate de gallamine [French]; F 2559; Fourneau 2559; G 8134; HL 8583; RP 3697; Flaxedil (TN); Gallamine triethiodide (USP); Gallamine-3ETI; Gallamini triethiodidum [INN-Latin]; Triethiodure de gallamine [INN-French]; Triethioduro de galamina [INN-Spanish]; Pyrogallol 1,2,3-(diethylaminoethyl ether) trisethyl iodide; Pyrogallol 1,2,3-(diethylaminoethyl ether) tris(ethyliodide); Tri(iodoethylate) de tri (beta diethylaminoethoxy)-1,2,3 benzene; Tri(iodoethylate) de tri (beta diethylaminoethoxy)-1,2,3 benzene [French]; Triiodoethylate of tri(diethylaminoethyloxy)-1,2,3-benzene; Triiodure de tri(beta-triethylammoniumethoxy)-1,2,3 benzene; Triiodure de tri(beta-triethylammoniumethoxy)-1,2,3 benzene [French]; Ammonium, (v-phenenyltris(oxyethylene))tris(triethyl-, triiodide; Ammonium, (v-phenenyltris(oxyethylene)tris(triethyl-, triiodide; Tri(beta-diethylaminoethoxy)-1,2,3-benzene tri-iodoethylate; Ethanaminium, 2,2',2'-(1,2,3-benzenetriyltris(oxy))tris(N,N,N-triethyl)-, triiodide; Ethanaminium, 2,2',2''-(1,2,3-benzenetriyltris(oxy))tris(N,N,N-triethyl)-, triiodide; Ethanaminium, 2,2',2''-(1,2,3-benzenetriyltris(oxy))tris(N,N,N-triethyl-, triiodide; (v-Phenenyltris(oxyethylene))tris(triethylammonium iodide); (v-Phenenyltris(oxyethylene))tris(triethylammonium) triiodide; (v-Phenenyltris(oxyethylene))tris(triethylammoniumiodide); 1,2,3-Tri(beta-diethylaminoethoxy)benzene triethiodide; 1,2,3-Tris(2-diethylaminoethoxy)benzene triethiodide; 1,2,3-Tris(2-diethylaminoethoxy)benzene tris(ethyliodide); 1,2,3-Tris(2-triethylammonium ethoxy)benzene triiodide; 1,2,3-Tris(diethylaminoethoxy)benzene triethiodide; 2,2',2''-(1,2,3-Benzenetriyltris(oxy))tris(N,N,N-triethylethanaminium) triiodide; 2,2',2''-[benzene-1,2,3-triyltris(oxy)]tris(N,N,N-triethylethanaminium) triiodide; 2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium triiodide

Indication

Disease Entry	ICD 11	Status	REF
Stabilize muscle contraction	FB3Z	Approved	[1]

• Therapeutic Class: Skeletal Muscle Relaxants
• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 891.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 21
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 6
• Chemical Identifiers:
  Formula: C30H60I3N3O3
  IUPAC Name: 2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium;triiodide
  Canonical SMILES: CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-].[I-].[I-]
  InChI: InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3
  InChIKey: REEUVFCVXKWOFE-UHFFFAOYSA-K
• Cross-matching ID:
  PubChem CID: 6172
  ChEBI ID: CHEMBL1200993
  CAS Number: 65-29-2
  UNII: Q3254X40X2
  DrugBank ID: DB00483
  TTD ID: D05SJW
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M2 (CHRM2)	TTYEG6Q	ACM2_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Stabilize muscle contraction
• ICD Disease Classification: FB3Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M2 (CHRM2)	DTT	CHRM2	4.61E-07	-0.59	-0.73

References

• [1] Drug information of Gallamine Triethiodide, 2008. eduDrugs.
• [2] Cholinergic regulation of the corpora allata in adult male loreyi leafworm Mythimna loreyi. Arch Insect Biochem Physiol. 2002 Apr;49(4):215-24.