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 |