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 |