PYRIDOSTIGMINE BROMIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII KVI301NA53
EPA CompTox DTXSID9023540
Parent Compound: PYRIDOSTIGMINE

Structure

InChI Key VNYBTNPBYXSMOO-UHFFFAOYSA-M
Smiles CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-]
InChI
InChI=1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13BrN2O2
Molecular Weight 261.12
AlogP 0.57
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 33.42
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 350-900 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 96.49-112.02
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 96.49-112.02
Homo sapiens
- 350-900 - - -

Target Conservation

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

Cross References

Resources Reference
ChEBI 8666
ChEMBL CHEMBL812
FDA SRS KVI301NA53
KEGG C07410
PubChem 7550
SureChEMBL SCHEMBL41147
ZINC ZINC00002009
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