Structure

InChI Key JXSJBGJIGXNWCI-UHFFFAOYSA-N
Smiles CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
InChI
InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19O6PS2
Molecular Weight 330.36
AlogP 2.12
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 9.0
Polar Surface Area 71.06
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR Wikipedia Wikipedia FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bionectria ochroleuca
- - - - 10-14.9

Cross References

Resources Reference
ChEBI 141474
ChEMBL CHEMBL1200468
DrugBank DB00772
DrugCentral 1626
FDA SRS U5N7SU872W
Human Metabolome Database HMDB0014910
KEGG C07497
PharmGKB PA164748092
PubChem 4004
SureChEMBL SCHEMBL27358
ZINC ZINC01530800