SACCHARIN

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Synonyms
Status
Molecule Category Free-form
UNII FST467XS7D
EPA CompTox DTXSID5021251

Structure

InChI Key CVHZOJJKTDOEJC-UHFFFAOYSA-N
Smiles O=C1NS(=O)(=O)c2ccccc21
InChI
InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5NO3S
Molecular Weight 183.19
AlogP 0.12
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 63.24
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 73
Enzyme Lyase
- - - 10-935 -
Enzyme
- - - 10-935 73
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 110.89-112.37
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Anopheles gambiae
- - - 95.3 -
Astrosclera willeyana
- - - 751 -
Candida albicans
- - - 736 -
Chionodraco hamatus
- - - 877 -
Colwellia psychrerythraea
- - - 601 -
Cricetulus griseus
- - - - 110.89-112.37
Enterobacter sp.
- - - 801 -
Homo sapiens
- - - 10-935 73
Legionella pneumophila subsp. pneumophila str. Philadelphia 1
- - - 441 -
Mycobacterium tuberculosis
- - - 792 -
Nostoc commune
- - - 408-408 -
Porphyromonas gingivalis
- - - 273-273 -
Pseudoalteromonas haloplanktis
- - - 867-867 -
Rattus norvegicus
- - - - 0
Stylophora pistillata
- - - 40.3-104 -
Sulfurihydrogenibium yellowstonense
- - - 876-876 -
Thiomicrospira crunogena XCL-2
- - - 933 -
Vibrio cholerae
- - - 68-550 -

Related Entries

Cross References

Resources Reference
ChEBI 32111
ChEMBL CHEMBL310671
DrugBank DB12418
FDA SRS FST467XS7D
Human Metabolome Database HMDB0029723
Guide to Pharmacology 5432
KEGG C12283
PDB LSA
PubChem 5143
SureChEMBL SCHEMBL3816
ZINC ZINC000002560357
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