| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 47E5O17Y3R |
Structure
| InChI Key | COLNVLDHVKWLRT-QMMMGPOBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.19 |
| AlogP | 0.64 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 63.32 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Auxiliary transport protein
Calcium channel auxiliary subunit alpha2delta family
|
- | - | - | 977-980 | - | |
|
Enzyme
Phosphatase
|
- | 80200-100000 | - | - | - | |
|
Other cytosolic protein
|
- | 80200 | - | - | - | |
|
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
|
- | 69000-69000 | - | 55000 | 85-85 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Central Nervous System Neoplasms | 1 | D016543 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 17295 |
| ChEMBL | CHEMBL301523 |
| DrugBank | DB00120 |
| DrugCentral | 2144 |
| EPA CompTox | DTXSID4040763 |
| FDA SRS | 47E5O17Y3R |
| Human Metabolome Database | HMDB0000159 |
| Guide to Pharmacology | 3313 |
| KEGG | C00079 |
| PDB | PHE |
| PharmGKB | PA450931 |
| PubChem | 6140 |
| SureChEMBL | SCHEMBL8119 |
| ZINC | ZINC000000105196 |
CONTENTS