| Trade Names: | |
| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | B05CX03 |
| UNII: | TE7660XO1C |
| InChI Key | DHMQDGOQFOQNFH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C2H5NO2 |
| Molecular Weight | 75.07 |
| AlogP | -0.97 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.32 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 5.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 11.23 | |
|
Enzyme
|
- | - | - | 366000 | 11.23 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -9.25--5.09 | |
|
Ion channel
Ligand-gated ion channel
Glycine receptor
|
94000-95499.26 | - | - | - | - | |
|
Ion channel
Ligand-gated ion channel
Ionotropic glutamate receptor
NMDA receptor
|
210-300 | 86-690 | - | 125.89-170 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
|
58 | - | - | - | - | |
|
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
|
- | - | - | - | 33-33 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
106000 | 1348962.88 | - | - | 49.3-69.7 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC36 family of proton-coupled amino acid transporters
|
- | - | - | 5100000 | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Malnutrition | 3 | D044342 | ClinicalTrials |
| Diarrhea | 3 | D003967 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Herpes Labialis | 2 | D006560 | ClinicalTrials |
| Obsessive-Compulsive Disorder | 2 | D009771 | ClinicalTrials |
| Psychotic Disorders | 2 | D011618 | ClinicalTrials |
| Mental Disorders | 2 | D001523 | ClinicalTrials |
| Respiratory Tract Diseases | 2 | D012140 | ClinicalTrials |
| Herpes Simplex | 2 | D006561 | ClinicalTrials |
| Hypertension | 2 | D006973 | ClinicalTrials |
| Asthma | 2 | D001249 | ClinicalTrials |
| Cystic Fibrosis | 2 | D003550 | ClinicalTrials |
| Bipolar Disorder | 2 | D001714 | ClinicalTrials |
| Cognitive Dysfunction | 1 | D060825 | ClinicalTrials |
| Alzheimer Disease | 1 | D000544 | ClinicalTrials |
| HIV Infections | 1 | D015658 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 1 | D045169 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 56-40-6 |
| ChEBI | 15428 |
| ChEMBL | CHEMBL773 |
| DrugBank | DB00145 |
| DrugCentral | 1319 |
| EPA CompTox | DTXSID9020667 |
| FDA SRS | TE7660XO1C |
| Human Metabolome Database | HMDB00123 |
| Guide to Pharmacology | 727 |
| KEGG | C00037 |
| PDB | GLY |
| PharmGKB | PA449789 |
| PubChem | 750 |
| SureChEMBL | SCHEMBL6163 |
| ZINC | ZINC000004658552 |