Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N2O2
Molecular Weight 250.34
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
- 14.3-920 - - 2.59-100
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor epsilon subunit
- - - - 1.92
Membrane receptor
- - - - 17.8-86.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 620 - - -
Electrophorus electricus
- - - - 2.59-59.6
Equus caballus
- 58-831.76 - - 54.66
Homo sapiens
- 14.3-920 - - 1.92-100
Mus musculus
- 58 - - 49.9-93.15
Rattus norvegicus
- 350-370 - - 17.1-56

Environmental Exposure

Countries
Czech Republic
Germany
Hungary
Romania
Serbia
Slovenia

Cross References

Resources Reference
ChEBI 8874
ChEMBL CHEMBL636
DrugBank DB00989
DrugCentral 2392
FDA SRS PKI06M3IW0
Human Metabolome Database HMDB0015124
Guide to Pharmacology 6602
KEGG C11766
PharmGKB PA451262
PubChem 77991
SureChEMBL SCHEMBL2764
ZINC ZINC000000004413