SULTHIAME

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII I00Q766CZ2
EPA CompTox DTXSID4023626

Structure

InChI Key HMHVCUVYZFYAJI-UHFFFAOYSA-N
Smiles NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChI
InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2O4S2
Molecular Weight 290.37
AlogP 0.26
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 97.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Carbonic anhydrase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 7-664 -
Enzyme
- - - 7-664 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Anopheles gambiae
- - - 265 -
Astrosclera willeyana
- - - 276 -
Chionodraco hamatus
- - - 49.5 -
Colwellia psychrerythraea
- - - 380 -
Cryptococcus neoformans
- - - 890 -
Enterobacter sp.
- - - 138 -
Helicobacter pylori
- - - 9 -
Homo sapiens
- - - 7-374 -
Legionella pneumophila subsp. pneumophila str. Philadelphia 1
- - - 463-485 -
Leishmania chagasi
- - - 834 -
Leishmania donovani chagasi
- - - 834 -
Mus musculus
- - - 65 -
Mycobacterium tuberculosis
- - - 664 -
Nostoc commune
- - - 82.4-82.4 -
Plasmodium falciparum
- - - 132 -
Porphyromonas gingivalis
- - - 424-424 -
Pseudoalteromonas haloplanktis
- - - 898-898 -
Stylophora pistillata
- - - 45.2-123 -
Sulfurihydrogenibium yellowstonense
- - - 7.8-7.8 -
Thalassiosira weissflogii
- - - 169 -
Thiomicrospira crunogena XCL-2
- - - 432 -
Trypanosoma cruzi
- - - 71.9 -
Vibrio cholerae
- - - 68-464 -

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 32171
ChEMBL CHEMBL328560
DrugBank DB08329
DrugCentral 2540
FDA SRS I00Q766CZ2
PDB OSP
PubChem 5356
SureChEMBL SCHEMBL38898
ZINC ZINC000000002119
CONTENTS