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 |