Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | CL2002R563 |
InChI Key | YRVIKLBSVVNSHF-JTQLQIEISA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C11H16N2O |
Molecular Weight | 192.26 |
AlogP | 1.52 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 34.15 |
Molecular species | BASE |
Aromatic Rings | 1.0 |
Heavy Atoms | 14.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor alpha subunit
|
- | - | - | 16-39 | - | |
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor beta subunit
|
- | - | - | 16-39 | - | |
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor delta subunit
|
30000 | - | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Alzheimer Disease | 2 | D000544 | ClinicalTrials |
Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
Tobacco Use Disorder | 2 | D014029 | ClinicalTrials |
Resources | Reference |
---|---|
ChEMBL | CHEMBL127071 |
DrugBank | DB05458 |
EPA CompTox | DTXSID20167149 |
FDA SRS | CL2002R563 |
PubChem | 178052 |
SureChEMBL | SCHEMBL194037 |
ZINC | ZINC000000006562 |