| Synonyms | |
| Status | |
| Molecule Category | UNKNOWN |
| UNII | K1M5RVL18S |
| EPA CompTox | DTXSID0045206 |
Structure
| InChI Key | ZXRVKCBLGJOCEE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2O2 |
| Molecular Weight | 140.14 |
| AlogP | 0.03 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 58.29 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 10.0 |
Bioactivity
| Mechanism of Action | Action | Reference |
|---|---|---|
| GABA-A receptor; agonist GABA site agonist | AGONIST | PubMed PubMed |
|
Protein: GABA-A receptor; agonist GABA site Description: Gamma-aminobutyric acid receptor subunit alpha-1 Organism : Homo sapiens P14867 ENSG00000022355 |
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Protein: GABA-A receptor; agonist GABA site Description: Gamma-aminobutyric acid receptor subunit beta-1 Organism : Homo sapiens P18505 ENSG00000163288 |
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Protein: GABA-A receptor; agonist GABA site Description: Gamma-aminobutyric acid receptor subunit beta-3 Organism : Homo sapiens P28472 ENSG00000166206 |
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Protein: GABA-A receptor; agonist GABA site Description: Gamma-aminobutyric acid receptor subunit alpha-5 Organism : Homo sapiens P31644 ENSG00000186297 |
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Protein: GABA-A receptor; agonist GABA site Description: Gamma-aminobutyric acid receptor subunit alpha-3 Organism : Homo sapiens P34903 ENSG00000011677 |
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Protein: GABA-A receptor; agonist GABA site Description: Gamma-aminobutyric acid receptor subunit alpha-2 Organism : Homo sapiens P47869 ENSG00000151834 |
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Protein: GABA-A receptor; agonist GABA site Description: Gamma-aminobutyric acid receptor subunit beta-2 Organism : Homo sapiens P47870 ENSG00000145864 |
|
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Protein: GABA-A receptor; agonist GABA site Description: Gamma-aminobutyric acid receptor subunit alpha-4 Organism : Homo sapiens P48169 ENSG00000109158 |
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Protein: GABA-A receptor; agonist GABA site Description: Gamma-aminobutyric acid receptor subunit alpha-6 Organism : Homo sapiens Q16445 ENSG00000145863 |
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| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | ||
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
14000-14125 | 32-130 | - | 160 | - |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 34373 |
| ChEMBL | CHEMBL312443 |
| DrugBank | DB06554 |
| FDA SRS | K1M5RVL18S |
| Guide to Pharmacology | 4322 |
| KEGG | C13693 |
| PubChem | 3448 |
| SureChEMBL | SCHEMBL247815 |
| ZINC | ZINC000019795995 |
CONTENTS