Trade Names | |
Synonyms | |
Status | |
Molecule Category | UNKNOWN |
ATC | N05CF04 |
UNII | UZX80K71OE |
EPA CompTox | DTXSID8046086 |
InChI Key | GBBSUAFBMRNDJC-INIZCTEOSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C17H17ClN6O3 | |
Molecular Weight | 388.82 | |
AlogP | 1.57 | |
Hydrogen Bond Acceptor | 7.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 2.0 | |
Polar Surface Area | 91.76 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 27.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
GABA-A receptor; anion channel positive allosteric modulator | POSITIVE ALLOSTERIC MODULATOR | FDA PubMed Wikipedia |
Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit pi Organism : Homo sapiens O00591 ENSG00000094755 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit delta Organism : Homo sapiens O14764 ENSG00000187730 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-1 Organism : Homo sapiens P14867 ENSG00000022355 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit beta-1 Organism : Homo sapiens P18505 ENSG00000163288 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit gamma-2 Organism : Homo sapiens P18507 ENSG00000113327 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit beta-3 Organism : Homo sapiens P28472 ENSG00000166206 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-5 Organism : Homo sapiens P31644 ENSG00000186297 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-3 Organism : Homo sapiens P34903 ENSG00000011677 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-2 Organism : Homo sapiens P47869 ENSG00000151834 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit beta-2 Organism : Homo sapiens P47870 ENSG00000145864 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-4 Organism : Homo sapiens P48169 ENSG00000109158 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit epsilon Organism : Homo sapiens P78334 ENSG00000102287 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit alpha-6 Organism : Homo sapiens Q16445 ENSG00000145863 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit gamma-1 Organism : Homo sapiens Q8N1C3 ENSG00000163285 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit gamma-3 Organism : Homo sapiens Q99928 ENSG00000182256 |
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Protein: GABA-A receptor; anion channel Description: Gamma-aminobutyric acid receptor subunit theta Organism : Homo sapiens Q9UN88 ENSG00000268089 |
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Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | - | - | 102 | - |
Resources | Reference | |
---|---|---|
ChEBI | 53760 | |
ChEMBL | CHEMBL1522 | |
DrugBank | DB00402 | |
DrugCentral | 1068 | |
FDA SRS | UZX80K71OE | |
Human Metabolome Database | HMDB0014546 | |
Guide to Pharmacology | 7429 | |
KEGG | D02624 | |
PharmGKB | PA162630444 | |
PubChem | 969472 | |
SureChEMBL | SCHEMBL28657 | |
ZINC | ZINC000019632834 |