| Synonyms: | |
| Status: | Approved (1956) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C02BB01 |
| UNII: | 6EE945D3OK |
| InChI Key | IMYZQPCYWPFTAG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H21N |
| Molecular Weight | 167.3 |
| AlogP | 2.42 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.03 |
| Molecular species | BASE |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 12.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor alpha subunit
|
200 | 100-3800 | - | - | 0 | |
|
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor beta subunit
|
200 | 100-3800 | - | - | 88 | |
|
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor delta subunit
|
30000 | - | - | - | - | |
|
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor epsilon subunit
|
30000 | - | - | - | - | |
|
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor gamma subunit
|
30000 | - | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Macular Degeneration | 2 | D008268 | ClinicalTrials |
| Depressive Disorder, Major | 2 | D003865 | ClinicalTrials |
| Tobacco Use Disorder | 2 | D014029 | ClinicalTrials |
| Alcoholism | 2 | D000437 | ClinicalTrials |
| Macular Degeneration | 2 | D008268 | ClinicalTrials |
| Aging | 1 | D000375 | ClinicalTrials |
| Autistic Disorder | 1 | D001321 | ClinicalTrials |
| Cognitive Dysfunction | 0 | D060825 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 60-40-2 |
| ChEBI | 6706 |
| ChEMBL | CHEMBL267936 |
| DrugBank | DB00657 |
| DrugCentral | 1646 |
| EPA CompTox | DTXSID0023240 |
| FDA SRS | 6EE945D3OK |
| Human Metabolome Database | HMDB0014795 |
| Guide to Pharmacology | 3990 |
| KEGG | C07511 |
| PharmGKB | PA450334 |
| SureChEMBL | SCHEMBL34252 |