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
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
CAS Number
65-29-2
DrugBank ID
DB00483
TTD ID
D05SJW
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD 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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Muscarinic acetylcholine receptor M1 (CHRM1) OTKW3E6B ACM1_HUMAN Protein Interaction/Cellular Processes [3]
Muscarinic acetylcholine receptor M2 (CHRM2) OTUMZ2WR ACM2_HUMAN Drug Response [4]
Muscarinic acetylcholine receptor M5 (CHRM5) OTNQRQGG ACM5_HUMAN Drug Response [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.
3 Allosteric interactions of staurosporine and other indolocarbazoles with N-[methyl-(3)H]scopolamine and acetylcholine at muscarinic receptor subtypes: identification of a second allosteric site. Mol Pharmacol. 2000 Jul;58(1):194-207.
4 Allosteric interactions with muscarinic acetylcholine receptors: complex role of the conserved tryptophan M2422Trp in a critical cluster of amino acids for baseline affinity, subtype selectivity, and cooperativity. Mol Pharmacol. 2006 Jul;70(1):181-93. doi: 10.1124/mol.106.023481. Epub 2006 Apr 26.