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 |