| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 8021PR16QO |
Structure
| InChI Key | DATAGRPVKZEWHA-YFKPBYRVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14N2O3 |
| Molecular Weight | 174.2 |
| AlogP | -0.69 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 92.42 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 12.0 |
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
|
- | - | - | - | 121 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
| Mental Disorders | 0 | D001523 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 58128 |
| ChEMBL | CHEMBL3039113 |
| DrugBank | DB12444 |
| EPA CompTox | DTXSID80184817 |
| FDA SRS | 8021PR16QO |
| Human Metabolome Database | HMDB0034365 |
| KEGG | C01047 |
| PDB | 85G |
| PubChem | 439378 |
| SureChEMBL | SCHEMBL190716 |
| ZINC | ZINC000001532828 |
CONTENTS