Synonyms: | |
Status: | Approved (1955) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | TZ47U051FI |
InChI Key | KWTSXDURSIMDCE-QMMMGPOBSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C9H13N |
Molecular Weight | 135.21 |
AlogP | 1.58 |
Hydrogen Bond Acceptor | 1.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 2.0 |
Polar Surface Area | 26.02 |
Molecular species | BASE |
Aromatic Rings | 1.0 |
Heavy Atoms | 10.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | - | - | 12200 | - | |
Ion channel
Ligand-gated ion channel
5HT3 receptor
|
- | - | 4467 | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | - | 4467 | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Trace amine receptor
|
14-1200 | - | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
1765-1770 | 16596 | - | 101 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Glioma | 3 | D005910 | ClinicalTrials |
Opioid-Related Disorders | 2 | D009293 | ClinicalTrials |
Schizophrenia | 2 | D012559 | ClinicalTrials |
Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Amphetamine-Related Disorders | 2 | D019969 | ClinicalTrials |
Stroke | 2 | D020521 | ClinicalTrials |
Bipolar Disorder | 1 | D001714 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 51-64-9 |
ChEBI | 4469 |
ChEMBL | CHEMBL612 |
DrugBank | DB01576 |
DrugCentral | 841 |
EPA CompTox | DTXSID8022907 |
FDA SRS | TZ47U051FI |
Human Metabolome Database | HMDB0015516 |
Guide to Pharmacology | 2147 |
KEGG | C07884 |
PDB | 1WE |
PharmGKB | PA448408 |
PubChem | 5826 |
SureChEMBL | SCHEMBL8859 |
ZINC | ZINC000006021033 |