BRINZOLAMIDE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC S01EC04
UNII 9451Z89515
EPA CompTox DTXSID6045531

Structure

InChI Key HCRKCZRJWPKOAR-JTQLQIEISA-N
Smiles CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChI
InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21N3O5S3
Molecular Weight 383.52
AlogP 0.09
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 118.8
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Carbonic anhydrase II inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 3.2-45.3 0.089 0.1259-839 -
Enzyme
- 3.2-45.3 0.089 0.1259-839 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Anopheles gambiae
- - - 31.4 -
Astrosclera willeyana
- - - 278 -
Bos taurus
- - - 45 -
Brucella suis
- - - 26-625 -
Chionodraco hamatus
- - - 88.1 -
Colwellia psychrerythraea
- - - 457 -
Cryptococcus neoformans
- - - 87-87 -
Enterobacter sp.
- - - 107 -
Helicobacter pylori
- - - 3-246 -
Homo sapiens
- 45 0.089 0.1259-730 -
Legionella pneumophila subsp. pneumophila str. Philadelphia 1
- - - 467-648 -
Leishmania chagasi
- - - 764 -
Leishmania donovani chagasi
- - - 764 -
Leptonychotes weddellii
- - - 6.4-6.4 -
Mus musculus
- - - 10-61 -
Mycobacterium tuberculosis
- - - 127-839 -
Mycobacterium tuberculosis H37Rv
- - - 201-839 -
Nostoc commune
- - - 81.3-81.3 -
Plasmodium falciparum
- - - 260 -
Porphyromonas gingivalis
- - - 408-722 -
Pseudoalteromonas haloplanktis
- - - 735-735 -
Saccharomyces cerevisiae
- - - 114 -
Salmonella enterica subsp. enterica serovar Typhimurium
- - - 412-687 -
Stylophora pistillata
- - - 48.2-169 -
Sulfurihydrogenibium yellowstonense
- - - 12.3-12.3 -
Thalassiosira weissflogii
- - - 118 -
Thiomicrospira crunogena XCL-2
- - - 4.2 -
Trypanosoma cruzi
- - - 87.3 -
Vibrio cholerae
- - - 2.5-845 -

Target Conservation

Protein: Carbonic anhydrase II
Description: Carbonic anhydrase 2
Organism : Homo sapiens
P00918 ENSG00000104267

Cross References

Resources Reference
ChEBI 3176
ChEMBL CHEMBL220491
DrugBank DB01194
DrugCentral 396
FDA SRS 9451Z89515
Human Metabolome Database HMDB0015325
Guide to Pharmacology 6797
KEGG C07760
PDB BZ1
PharmGKB PA164744929
PubChem 68844
SureChEMBL SCHEMBL24636
ZINC ZINC000003953037
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