| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 4QD397987E |
Structure
| InChI Key | HNDVDQJCIGZPNO-YFKPBYRVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N3O2 |
| Molecular Weight | 155.16 |
| AlogP | -0.64 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 92.0 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)
SLC07 Cationic amino acid transporter/glycoprotein-associated family
|
- | 20000 | - | - | 92-92 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hernias, Diaphragmatic, Congenital | 2 | D065630 | ClinicalTrials |
| Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
| Irritable Bowel Syndrome | 0 | D043183 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 15971 |
| ChEMBL | CHEMBL17962 |
| DrugBank | DB00117 |
| DrugCentral | 1377 |
| EPA CompTox | DTXSID9023126 |
| FDA SRS | 4QD397987E |
| Human Metabolome Database | HMDB0000177 |
| Guide to Pharmacology | 3310 |
| KEGG | C00135 |
| PharmGKB | PA449882 |
| PubChem | 6274 |
| SureChEMBL | SCHEMBL3259 |
| ZINC | ZINC000006661227 |
CONTENTS