| Synonyms: | |
| Status: | Approved (1960) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | V008L6478D |
| InChI Key | GEFQWZLICWMTKF-CDUCUWFYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.21 |
| AlogP | 0.48 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 86.71 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
| 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
|
776 | - | - | 3600-9221 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 59 |
| Resources | Reference |
|---|---|
| ChEBI | 10304 |
| ChEMBL | CHEMBL677 |
| DrugBank | DB06707 |
| DrugCentral | 4482 |
| EPA CompTox | DTXSID6046349 |
| FDA SRS | V008L6478D |
| Human Metabolome Database | HMDB0015652 |
| Guide to Pharmacology | 508 |
| KEGG | C11768 |
| PharmGKB | PA165958380 |
| PubChem | 164739 |
| SureChEMBL | SCHEMBL119171 |
| ZINC | ZINC000000034157 |