| Synonyms: | |
| Status: | Approved (1973) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 53QOG569E0 |
| InChI Key | LMOINURANNBYCM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.26 |
| AlogP | 1.13 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 72.72 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
| 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
Adrenergic receptor
|
- | - | 501-4810 | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 108 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 13 |
| Resources | Reference |
|---|---|
| ChEBI | 83329 |
| ChEMBL | CHEMBL776 |
| DrugBank | DB00816 |
| DrugCentral | 1720 |
| EPA CompTox | DTXSID8048529 |
| FDA SRS | 53QOG569E0 |
| Human Metabolome Database | HMDB0014954 |
| Guide to Pharmacology | 7250 |
| KEGG | C07144 |
| PharmGKB | PA450390 |
| PubChem | 4086 |
| SureChEMBL | SCHEMBL4270 |