ZONISAMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N03AX15
UNII 459384H98V
EPA CompTox DTXSID9046023

Structure

InChI Key UBQNRHZMVUUOMG-UHFFFAOYSA-N
Smiles NS(=O)(=O)Cc1noc2ccccc12
InChI
InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8N2O3S
Molecular Weight 212.23
AlogP 1.85
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 87.18
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Sodium channel alpha subunit blocker BLOCKER PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Lyase
- - 20.6-47.6 0.9-971 -
Enzyme
- - 20.6-47.6 0.9-971
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Anopheles gambiae
- - - 263 -
Astrosclera willeyana
- - - 165 -
Brucella suis
- - - 406 -
Candida albicans
- - - 940-942 -
Candida glabrata
- - - 114 -
Chionodraco hamatus
- - - 52.9 -
Colwellia psychrerythraea
- - - 771 -
Cryptococcus neoformans
- - - 970-971 -
Enterobacter sp.
- - - 128 -
Helicobacter pylori
- - - 35-254 -
Homo sapiens
- - 20.6-47.6 0.9-430 -17.9-48
Legionella pneumophila subsp. pneumophila str. Philadelphia 1
- - - 820-831 -
Leptonychotes weddellii
- - - 517-517 -
Mus musculus
- - - 634-634 40
Mycobacterium tuberculosis
- - - 210-876 -
Mycobacterium tuberculosis H37Rv
- - - 208 -
Nostoc commune
- - - 85.6-85.6 -
Plasmodium falciparum
- - - 246 -
Porphyromonas gingivalis
- - - 157-345 -
Pseudoalteromonas haloplanktis
- - - 490-490 -
Rattus norvegicus
- - - - 60
Saccharomyces cerevisiae
- - - 106 -
Stylophora pistillata
- - - 259-645 -
Sulfurihydrogenibium yellowstonense
- - - 140-140 -
Thalassiosira weissflogii
- - - 404 -
Thiomicrospira crunogena XCL-2
- - - 411 -
Trypanosoma cruzi
- - - 867 -
Vibrio cholerae
- - - 725-982 -

Target Conservation

Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 1 subunit alpha
Organism : Homo sapiens
P35498 ENSG00000144285
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 4 subunit alpha
Organism : Homo sapiens
P35499 ENSG00000007314
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 9 subunit alpha
Organism : Homo sapiens
Q15858 ENSG00000169432
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 2 subunit alpha
Organism : Homo sapiens
Q99250 ENSG00000136531
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 3 subunit alpha
Organism : Homo sapiens
Q9NY46 ENSG00000153253
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 11 subunit alpha
Organism : Homo sapiens
Q9UI33 ENSG00000168356
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 8 subunit alpha
Organism : Homo sapiens
Q9UQD0 ENSG00000196876
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 10 subunit alpha
Organism : Homo sapiens
Q9Y5Y9 ENSG00000185313

Cross References

Resources Reference
ChEBI 10127
ChEMBL CHEMBL750
DrugBank DB00909
DrugCentral 2872
FDA SRS 459384H98V
Human Metabolome Database HMDB0015045
Guide to Pharmacology 7047
KEGG C07504
PDB ZON
PharmGKB PA451978
PubChem 5734
SureChEMBL SCHEMBL35458
ZINC ZINC000000004321
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