ZOPICLONE

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Synonyms
Status
Molecule Category UNKNOWN
ATC N05CF01
UNII 03A5ORL08Q
EPA CompTox DTXSID4041155

Structure

InChI Key GBBSUAFBMRNDJC-UHFFFAOYSA-N
Smiles CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
InChI
InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3

Physicochemical Descriptors

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

Bioactivity

Mechanism of Action Action Reference
GABA-A receptor; agonist GABA site positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed PubMed
Protein: GABA-A receptor; agonist GABA site
Description: Gamma-aminobutyric acid receptor subunit alpha-1
Organism : Homo sapiens
P14867 ENSG00000022355
Protein: GABA-A receptor; agonist GABA site
Description: Gamma-aminobutyric acid receptor subunit beta-1
Organism : Homo sapiens
P18505 ENSG00000163288
Protein: GABA-A receptor; agonist GABA site
Description: Gamma-aminobutyric acid receptor subunit beta-3
Organism : Homo sapiens
P28472 ENSG00000166206
Protein: GABA-A receptor; agonist GABA site
Description: Gamma-aminobutyric acid receptor subunit alpha-5
Organism : Homo sapiens
P31644 ENSG00000186297
Protein: GABA-A receptor; agonist GABA site
Description: Gamma-aminobutyric acid receptor subunit alpha-3
Organism : Homo sapiens
P34903 ENSG00000011677
Protein: GABA-A receptor; agonist GABA site
Description: Gamma-aminobutyric acid receptor subunit alpha-2
Organism : Homo sapiens
P47869 ENSG00000151834
Protein: GABA-A receptor; agonist GABA site
Description: Gamma-aminobutyric acid receptor subunit beta-2
Organism : Homo sapiens
P47870 ENSG00000145864
Protein: GABA-A receptor; agonist GABA site
Description: Gamma-aminobutyric acid receptor subunit alpha-4
Organism : Homo sapiens
P48169 ENSG00000109158
Protein: GABA-A receptor; agonist GABA site
Description: Gamma-aminobutyric acid receptor subunit alpha-6
Organism : Homo sapiens
Q16445 ENSG00000145863
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Ion channel Ligand-gated ion channel GABA-A receptor
- 29 - - -
Assay Description Organism Bioactivity Reference
Binding affinity against central benzodiazepine receptor(CBR). None 29.0 nM
Inhibition of human FAAH at 1 uM Homo sapiens -12.89 %

Related Entries

Cross References

Resources Reference
ChEBI 32315
ChEMBL CHEMBL135400
DrugBank DB01198
DrugCentral 2873
FDA SRS 03A5ORL08Q
Human Metabolome Database HMDB0015329
Guide to Pharmacology 7430
PharmGKB PA10236
PubChem 5735
SureChEMBL SCHEMBL44419
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