Structure

InChI Key GWHQHAUAXRMMOT-MERQFXBCSA-N
Smiles CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H28N2O8
Molecular Weight 400.43
AlogP 2.76
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 32.78
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Cholinesterases; ACHE & BCHE inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 499 - - 73
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Equus caballus
- 499 - - -
Mus musculus
- - - - 73

Cross References

Resources Reference
ChEBI 8874
ChEMBL CHEMBL215645
FDA SRS 9IY2357JPE
Guide to Pharmacology 6602
KEGG C11766
PubChem 6918078
SureChEMBL SCHEMBL916039
ZINC ZINC00004413