| Synonyms: | |
| Status: | Approved (1942) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 9E338QE28F |
| InChI Key | XADCESSVHJOZHK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H21NO2 |
| Molecular Weight | 247.34 |
| AlogP | 2.21 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 29.54 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 18.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 324-75858 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
700 | 500-40000 | - | 451 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | - | - | 17800 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 22250 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Sciatica | 3 | D012585 | ClinicalTrials |
| Ischemic Stroke | 3 | D000083242 | ClinicalTrials |
| Scoliosis | 2 | D012600 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 57-42-1 |
| ChEBI | 6754 |
| ChEMBL | CHEMBL607 |
| DrugBank | DB00454 |
| DrugCentral | 1690 |
| EPA CompTox | DTXSID9023253 |
| FDA SRS | 9E338QE28F |
| Human Metabolome Database | HMDB0014597 |
| Guide to Pharmacology | 7221 |
| KEGG | C07128 |
| PharmGKB | PA450369 |
| PubChem | 4058 |
| SureChEMBL | SCHEMBL25431 |
| ZINC | ZINC000000001681 |