| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | N06DA03 |
| UNII | PKI06M3IW0 |
| EPA CompTox | DTXSID7023564 |
| InChI Key | XSVMFMHYUFZWBK-NSHDSACASA-N |
|---|---|
| Smiles | |
| InChI |
|
| 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 |
| 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 |
| 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 |