| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | KE1SEN21RM |
| InChI Key | SHXWCVYOXRDMCX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.25 |
| AlogP | 1.57 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 30.49 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | - | - | 12900-22800 | - | |
|
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor alpha subunit
|
- | 30400 | - | 1440 | - | |
|
Ion channel
Ligand-gated ion channel
Nicotinic acetylcholine receptor
Nicotinic acetylcholine receptor beta subunit
|
- | 30400 | - | 1440 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Trace amine receptor
|
1700 | - | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
1000-32359 | 425-2754 | - | 1-948 | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Stress Disorders, Post-Traumatic | 3 | D013313 | ClinicalTrials |
| Anxiety | 2 | D001007 | ClinicalTrials |
| Anorexia Nervosa | 2 | D000856 | ClinicalTrials |
| Substance-Related Disorders | 1 | D019966 | ClinicalTrials |
| Alcoholism | 1 | D000437 | ClinicalTrials |
| Amphetamine-Related Disorders | 1 | D019969 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
| Child Development Disorders, Pervasive | 0 | D002659 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEBI | 1391 |
| ChEMBL | CHEMBL43048 |
| DrugBank | DB01454 |
| EPA CompTox | DTXSID90860791 |
| FDA SRS | KE1SEN21RM |
| Guide to Pharmacology | 4574 |
| KEGG | C07577 |
| PharmGKB | PA131887008 |
| PubChem | 1615 |
| SureChEMBL | SCHEMBL44210 |