| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | HG18B9YRS7 |
Structure
| InChI Key | KZSNJWFQEVHDMF-BYPYZUCNSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.15 |
| AlogP | 0.05 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 63.32 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 8.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | - | - | - | 65 | |
|
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
|
- | 68000 | - | - | 43 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Renal Insufficiency, Chronic | 1 | D051436 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 16414 |
| ChEMBL | CHEMBL43068 |
| DrugBank | DB00161 |
| DrugCentral | 4128 |
| EPA CompTox | DTXSID40883233 |
| FDA SRS | HG18B9YRS7 |
| Human Metabolome Database | HMDB00883 |
| Guide to Pharmacology | 4794 |
| KEGG | C00183 |
| PDB | VAL |
| PharmGKB | PA451843 |
| PubChem | 6287 |
| SureChEMBL | SCHEMBL8516 |
| ZINC | ZINC000000895099 |
CONTENTS