PHYSOSTIGMINE SALICYLATE

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Synonyms
Status
Molecule Category Salt-form
UNII 2046ZRO9VU
EPA CompTox DTXSID80883232

Structure

InChI Key HZOTZTANVBDFOF-PBCQUBLHSA-N
Smiles CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O
InChI
InChI=1S/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)/t13-,15+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27N3O5
Molecular Weight 413.47
AlogP 1.77
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 44.81
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 16-28 - 210 24.71-64.3
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 110.77-115.97
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 110.77-115.97
Electrophorus electricus
- - - 210 -
Torpedo californica
- 21.3 - - 24.71-64.3

Target Conservation

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

Cross References

Resources Reference
ChEBI 48883
ChEMBL CHEMBL338975
FDA SRS 2046ZRO9VU
PubChem 5992
SureChEMBL SCHEMBL41555
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