ETHOXZOLAMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII Z52H4811WX
EPA CompTox DTXSID1023021

Structure

InChI Key OUZWUKMCLIBBOG-UHFFFAOYSA-N
Smiles CCOc1ccc2nc(S(N)(=O)=O)sc2c1
InChI
InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10N2O3S2
Molecular Weight 258.32
AlogP 1.34
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 82.28
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Carbonic anhydrase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 0.25-67.64 0.71-36 0.49-840 74
Enzyme
- 0.25-67.64 0.71-36 0.49-840 74
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Anopheles gambiae
- - - 185 -
Astrosclera willeyana
- - - 387 -
Bos taurus
- - - 13-13 -
Brucella suis
- - - 17-420 -
Caenorhabditis elegans
- - - 40-40 -
Chionodraco hamatus
- - - 49.9 -
Colwellia psychrerythraea
- - - 513 -
Cryptococcus neoformans
- - - 87-87 -
Enterobacter sp.
- - - 132 -
Helicobacter pylori
- - - 8-193 -
Homo sapiens
- 0.25-67.64 0.71-36 0.78-840 66-74
Legionella pneumophila subsp. pneumophila str. Philadelphia 1
- - - 71.4-103 -
Leishmania chagasi
- - - 51.5 -
Leishmania donovani chagasi
- - - 51.5-200 -
Leptonychotes weddellii
- - - 51-51 -
Methanosarcina thermophila
- - - 200-740 -
Mus musculus
- - - 50-58 -
Mycobacterium tuberculosis
- - - 27 -
Mycobacterium tuberculosis H37Rv
- - - 594 -
Nostoc commune
- - - 264-264 -
Plasmodium falciparum
- - - 131-750 -
Porphyromonas gingivalis
- - - 280-613 -
Pseudoalteromonas haloplanktis
- - - 679-679 -
Saccharomyces cerevisiae
- - - 98.4 -
Salmonella enterica subsp. enterica serovar Typhimurium
- - - 528-721 -
Stylophora pistillata
- - - 39.4-105 -
Sulfurihydrogenibium yellowstonense
- - - 9.3-9.3 -
Thalassiosira weissflogii
- - - 85.1 -
Thiomicrospira crunogena XCL-2
- - - 4.1 -
Trypanosoma cruzi
- - - 88.2 -
Vibrio cholerae
- - - 0.69-85.1 -

Target Conservation

Protein: Carbonic anhydrase
Description: Carbonic anhydrase 12
Organism : Homo sapiens
O43570 ENSG00000074410
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 1
Organism : Homo sapiens
P00915 ENSG00000133742
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 2
Organism : Homo sapiens
P00918 ENSG00000104267
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 3
Organism : Homo sapiens
P07451 ENSG00000164879
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 4
Organism : Homo sapiens
P22748 ENSG00000167434
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 6
Organism : Homo sapiens
P23280 ENSG00000131686
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 5A, mitochondrial
Organism : Homo sapiens
P35218 ENSG00000174990
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 7
Organism : Homo sapiens
P43166 ENSG00000168748
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 9
Organism : Homo sapiens
Q16790 ENSG00000107159
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 13
Organism : Homo sapiens
Q8N1Q1 ENSG00000185015
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 14
Organism : Homo sapiens
Q9ULX7 ENSG00000118298
Protein: Carbonic anhydrase
Description: Carbonic anhydrase 5B, mitochondrial
Organism : Homo sapiens
Q9Y2D0 ENSG00000169239

Cross References

Resources Reference
ChEBI 101096
ChEMBL CHEMBL18
DrugBank DB00311
DrugCentral 1089
FDA SRS Z52H4811WX
Human Metabolome Database HMDB0014456
Guide to Pharmacology 6814
KEGG D02441
PDB EZL
PharmGKB PA164754743
PubChem 3295
SureChEMBL SCHEMBL63941
ZINC ZINC000000056721
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