DICHLORPHENAMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII VVJ6673MHY
EPA CompTox DTXSID1022922

Structure

InChI Key GJQPMPFPNINLKP-UHFFFAOYSA-N
Smiles NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChI
InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6Cl2N2O4S2
Molecular Weight 305.16
AlogP 0.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 120.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Carbonic anhydrase I inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 38-380 - 6-910 -
Enzyme
- 38-380 - 6-910 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Anopheles gambiae
- - - 630 -
Astrosclera willeyana
- - - 62 -
Bos taurus
- - - 380-380 -
Brucella suis
- - - 58-112 -
Burkholderia pseudomallei
- - - 529 -
Candida albicans
- - - 909-910 -
Candida glabrata
- - - 112 -
Colwellia psychrerythraea
- - - 639 -
Enterobacter sp.
- - - 938 -
Helicobacter pylori
- - - 38-378 -
Homo sapiens
- - - 6-630 -
Legionella pneumophila subsp. pneumophila str. Philadelphia 1
- - - 64.1 -
Leishmania chagasi
- - - 189 -
Leishmania donovani chagasi
- - - 189-190 -
Leptonychotes weddellii
- - - 513 -
Malassezia globosa CBS 7966
- - - 346 -
Methanosarcina thermophila
- - - 150-190 -
Mus musculus
- - - 23-95 -
Mycobacterium tuberculosis
- - - 872 -
Mycobacterium tuberculosis H37Rv
- - - 611-872 -
Nostoc commune
- - - 345-345 -
Plasmodium falciparum
- - - 542-890 -
Saccharomyces cerevisiae
- - - 103 -
Salmonella enterica subsp. enterica serovar Typhimurium
- - - 90-95 -
Stylophora pistillata
- - - 79-431 -
Sulfurihydrogenibium yellowstonense
- - - 8.5-8.5 -
Thalassiosira weissflogii
- - - 458 -
Thiomicrospira crunogena XCL-2
- - - 24.8 -
Trypanosoma cruzi
- - - 128 -
Vibrio cholerae
- - - 37.1-37.1 -

Target Conservation

Protein: Carbonic anhydrase XII
Description: Carbonic anhydrase 12
Organism : Homo sapiens
O43570 ENSG00000074410
Protein: Carbonic anhydrase I
Description: Carbonic anhydrase 1
Organism : Homo sapiens
P00915 ENSG00000133742
Protein: Carbonic anhydrase II
Description: Carbonic anhydrase 2
Organism : Homo sapiens
P00918 ENSG00000104267
Protein: Carbonic anhydrase IV
Description: Carbonic anhydrase 4
Organism : Homo sapiens
P22748 ENSG00000167434

Cross References

Resources Reference
ChEBI 101085
ChEMBL CHEMBL17
DrugBank DB01144
DrugCentral 864
FDA SRS VVJ6673MHY
Human Metabolome Database HMDB0015275
Guide to Pharmacology 6807
KEGG C07459
PDB I7A
PharmGKB PA164745512
PubChem 3038
SureChEMBL SCHEMBL112376
ZINC ZINC000000896918
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