| Synonyms: | |
| Status: | Approved (1943) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 44RAL3456C |
Structure
| InChI Key | MYWUZJCMWCOHBA-VIFPVBQESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H15N |
| Molecular Weight | 149.24 |
| AlogP | 1.84 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 12.03 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Trace amine receptor
|
18-1822 | - | - | - | - | |
|
Membrane receptor
|
18-1822 | - | - | 8320 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC18 family of vesicular amine transporters
|
- | - | - | 2460-80100 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Amphetamine-Related Disorders | 2 | D019969 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 537-46-2 |
| ChEBI | 6809 |
| ChEMBL | CHEMBL1201201 |
| DrugBank | DB01577 |
| DrugCentral | 1732 |
| EPA CompTox | DTXSID8037128 |
| FDA SRS | 44RAL3456C |
| Human Metabolome Database | HMDB0015517 |
| Guide to Pharmacology | 4803 |
| KEGG | C07164 |
| PDB | B40 |
| PharmGKB | PA450403 |
| PubChem | 10836 |
| SureChEMBL | SCHEMBL42615 |
| ZINC | ZINC000006021043 |
CONTENTS