Synonyms | |
Status | |
Molecule Category | Free-form |
UNII | V008L6478D |
EPA CompTox | DTXSID6046349 |
InChI Key | GEFQWZLICWMTKF-CDUCUWFYSA-N | |
---|---|---|
Smiles | ||
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 |
Protein: Adrenergic receptor alpha-2 Description: Alpha-2A adrenergic receptor Organism : Homo sapiens P08913 ENSG00000150594 |
||||
Protein: Adrenergic receptor alpha-2 Description: Alpha-2B adrenergic receptor Organism : Homo sapiens P18089 ENSG00000274286 |
||||
Protein: Adrenergic receptor alpha-2 Description: Alpha-2C adrenergic receptor Organism : Homo sapiens P18825 ENSG00000184160 |
||||
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 | |
FDA SRS | V008L6478D | |
Human Metabolome Database | HMDB0015652 | |
Guide to Pharmacology | 508 | |
KEGG | C11768 | |
PharmGKB | PA165958380 | |
PubChem | 164739 | |
SureChEMBL | SCHEMBL119171 | |
ZINC | ZINC000000034157 |