Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | S7UI8SM58A |
InChI Key | PHIQHXFUZVPYII-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 |
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 |
Resources | Reference |
---|---|
ChEBI | 17126 |
ChEMBL | CHEMBL172513 |
EPA CompTox | DTXSID3022744 |
FDA SRS | S7UI8SM58A |
PubChem | 288 |
SureChEMBL | SCHEMBL21971 |