| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N06BX12 |
| UNII: | 6DH1W9VH8Q |
Structure
| InChI Key | RDHQFKQIGNGIED-MRVPVSSYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H17NO4 |
| Molecular Weight | 203.24 |
| AlogP | -1.24 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 66.43 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 14.0 |
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
|
- | - | - | - | 113 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Carcinoma, Non-Small-Cell Lung | 3 | D002289 | ClinicalTrials |
| Sleep Wake Disorders | 3 | D012893 | ClinicalTrials |
| Fatigue | 3 | D005221 | ClinicalTrials |
| Carpal Tunnel Syndrome | 2 | D002349 | ClinicalTrials |
| Peripheral Nervous System Diseases | 2 | D010523 | ClinicalTrials |
| Bipolar Disorder | 2 | D001714 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 2 | D003924 | ClinicalTrials |
| Shock, Septic | 1 | D012772 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3040-38-8 |
| ChEBI | 57589 |
| ChEMBL | CHEMBL1697733 |
| DrugBank | DB08842 |
| DrugCentral | 64 |
| EPA CompTox | DTXSID1040956 |
| FDA SRS | 6DH1W9VH8Q |
| Human Metabolome Database | HMDB0000201 |
| Guide to Pharmacology | 4520 |
| PubChem | 7045767 |
| SureChEMBL | SCHEMBL118455 |
CONTENTS