ZALEPLON

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N05CF03
UNII S62U433RMH
EPA CompTox DTXSID5023748

Structure

InChI Key HUNXMJYCHXQEGX-UHFFFAOYSA-N
Smiles CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1
InChI
InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H15N5O
Molecular Weight 305.34
AlogP 2.64
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 74.29
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
GABA A receptor alpha-1/beta-1/gamma-2 positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR FDA PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
290 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
290 - - - -

Target Conservation

Protein: GABA A receptor alpha-1/beta-1/gamma-2
Description: Gamma-aminobutyric acid receptor subunit alpha-1
Organism : Homo sapiens
P14867 ENSG00000022355
Protein: GABA A receptor alpha-1/beta-1/gamma-2
Description: Gamma-aminobutyric acid receptor subunit beta-1
Organism : Homo sapiens
P18505 ENSG00000163288
Protein: GABA A receptor alpha-1/beta-1/gamma-2
Description: Gamma-aminobutyric acid receptor subunit gamma-2
Organism : Homo sapiens
P18507 ENSG00000113327

Related Entries

Cross References

Resources Reference
ChEBI 10102
ChEMBL CHEMBL1521
DrugBank DB00962
DrugCentral 2857
FDA SRS S62U433RMH
Human Metabolome Database HMDB0015097
Guide to Pharmacology 4345
KEGG C07484
PharmGKB PA451952
PubChem 5719
SureChEMBL SCHEMBL29118
ZINC ZINC000000006300
CONTENTS