GALLAMINE TRIETHIODIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII Q3254X40X2
EPA CompTox DTXSID5023089

Structure

InChI Key REEUVFCVXKWOFE-UHFFFAOYSA-K
Smiles CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[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

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H60I3N3O3
Molecular Weight 891.54
AlogP 5.45
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 21.0
Polar Surface Area 27.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Muscle-type nicotinic acetylcholine receptor antagonist ANTAGONIST ISBN
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 776.25 - 467.74 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 79.25-91.38
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 79.25-91.38
Homo sapiens
- 776.25 - 467.74 -

Cross References

Resources Reference
ChEMBL CHEMBL1200993
DrugBank DB00483
FDA SRS Q3254X40X2
Guide to Pharmacology 356
PDB GMN
PubChem 6172
SureChEMBL SCHEMBL249090
ZINC ZINC03830882
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