| Synonyms: | |
| Status: | Approved (2002) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 30IW36W5B2 |
Structure
| InChI Key | SJZRECIVHVDYJC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H8O3 |
| Molecular Weight | 104.11 |
| AlogP | -0.16 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 57.53 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 7.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | - | - | 4300 | 36 | |
|
Membrane receptor
Family C G protein-coupled receptor
Small molecule receptor (family C GPCR)
Neurotransmitter receptor (family C GPCR)
GABA-B receptor
|
- | - | - | - | 41 | |
|
Membrane receptor
|
- | 6600-25000 | - | - | 35-55 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 30830 |
| ChEMBL | CHEMBL1342 |
| DrugBank | DB01440 |
| EPA CompTox | DTXSID2074740 |
| FDA SRS | 30IW36W5B2 |
| Human Metabolome Database | HMDB0000710 |
| Guide to Pharmacology | 4711 |
| KEGG | C01991 |
| PubChem | 10413 |
| SureChEMBL | SCHEMBL10786 |
| ZINC | ZINC000001532805 |
CONTENTS