| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | S7UI8SM58A |
Structure
| InChI Key | PHIQHXFUZVPYII-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H15NO3 |
| Molecular Weight | 161.2 |
| AlogP | -1.81 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 60.36 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 16 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Intermittent Claudication | 3 | D007383 | ClinicalTrials |
| Colitis, Ulcerative | 3 | D003093 | ClinicalTrials |
| Postpoliomyelitis Syndrome | 3 | D016262 | ClinicalTrials |
| Heart Failure | 2 | D006333 | ClinicalTrials |
| Shock, Septic | 2 | D012772 | ClinicalTrials |
| Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
| Supranuclear Palsy, Progressive | 1 | D013494 | ClinicalTrials |
| Endocardial Cushion Defects | 1 | D004694 | ClinicalTrials |
| Heart Septal Defects, Ventricular | 1 | D006345 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 17126 |
| ChEMBL | CHEMBL172513 |
| EPA CompTox | DTXSID3022744 |
| FDA SRS | S7UI8SM58A |
| PubChem | 288 |
| SureChEMBL | SCHEMBL21971 |
CONTENTS