PHYSOSTIGMINE SALICYLATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2046ZRO9VU

Structure
InChI Key HZOTZTANVBDFOF-PBCQUBLHSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Acetylcholinesterase inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 16 - 210 25-64
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 111

Cross References

Resources Reference
ChEBI 48883
ChEMBL CHEMBL338975
EPA CompTox DTXSID80883232
FDA SRS 2046ZRO9VU
PubChem 5992
SureChEMBL SCHEMBL41555
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