| Synonyms: | |
| Status: | Approved (1950) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C01CA03 |
| UNII: | X4W3ENH1CV |
Structure
| InChI Key | SFLSHLFXELFNJZ-QMMMGPOBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.18 |
| AlogP | 0.09 |
| 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 | 12.0 |
Pharmacology
| 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
|
110-372 | 1500-1620 | 3980-3981 | 390-6500 | 18 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 0 | 50000 | 1300 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 102 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hernias, Diaphragmatic, Congenital | 3 | D065630 | ClinicalTrials |
| Heart Diseases | 3 | D006331 | ClinicalTrials |
| Shock, Septic | 3 | D012772 | ClinicalTrials |
| Sepsis | 3 | D018805 | ClinicalTrials |
| Shock | 3 | D012769 | ClinicalTrials |
| Hypotension | 3 | D007022 | ClinicalTrials |
| Acute Lung Injury | 2 | D055371 | ClinicalTrials |
| Cognitive Dysfunction | 2 | D060825 | ClinicalTrials |
| Brain Injuries | 2 | D001930 | ClinicalTrials |
| Depressive Disorder | 1 | D003866 | ClinicalTrials |
| Hypotension, Orthostatic | 1 | D007024 | ClinicalTrials |
| Radiodermatitis | 1 | D011855 | ClinicalTrials |
| Inflammation | 1 | D007249 | ClinicalTrials |
| Ischemic Stroke | 0 | D000083242 | ClinicalTrials |
| Renal Insufficiency | 0 | D051437 | ClinicalTrials |
| Obesity | 0 | D009765 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51-41-2 |
| ChEBI | 18357 |
| ChEMBL | CHEMBL1437 |
| DrugBank | DB00368 |
| DrugCentral | 1960 |
| EPA CompTox | DTXSID5023378 |
| FDA SRS | X4W3ENH1CV |
| Human Metabolome Database | HMDB0000216 |
| Guide to Pharmacology | 505 |
| KEGG | C00547 |
| PDB | LNR |
| PharmGKB | PA450649 |
| PubChem | 439260 |
| SureChEMBL | SCHEMBL2609 |
| ZINC | ZINC000000057624 |
CONTENTS