GALANTAMINE HYDROBROMIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 5N4SA4KQX9
EPA CompTox DTXSID4052768
Parent Compound: GALANTAMINE

Structure

InChI Key QORVDGQLPPAFRS-XPSHAMGMSA-N
Smiles Br.COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
InChI
InChI=1S/C17H21NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-6,12,14,19H,7-10H2,1-2H3;1H/t12-,14-,17-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22BrNO3
Molecular Weight 368.27
AlogP 1.85
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 41.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 550-670 - 370-540 37.78-97.77
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- 550-670 - 370-540 77.25-97.77
Equus caballus
- - - - 37.78-85.97
Rattus norvegicus
- - - - 81.6-95

Target Conservation

Protein: Acetylcholinesterase
Description: Acetylcholinesterase
Organism : Homo sapiens
P22303 ENSG00000087085

Cross References

Resources Reference
ChEBI 42944
ChEMBL CHEMBL1555
FDA SRS 5N4SA4KQX9
Guide to Pharmacology 6693
KEGG C08526
PDB GNT
PubChem 121587
SureChEMBL SCHEMBL177993
ZINC ZINC00491073
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