SACCHARIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: FST467XS7D

Structure
InChI Key CVHZOJJKTDOEJC-UHFFFAOYSA-N
Smile 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
Number of Rotational Bond 0.0
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
- 3600 - - 73
Enzyme Lyase
- - - 5180-7470 -
Enzyme Transferase
- - - - 2.333-10.23
Enzyme
- 3600 - 5180-7470 2.333-10.23
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -12.02-27.21
Membrane receptor Taste family G protein-coupled receptor Taste receptor (taste family GPCR)
650000-650000 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 110.89

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Epilepsy 3 D004827 ClinicalTrials

Cross References

Resources Reference
ChEBI 32111
ChEMBL CHEMBL310671
DrugBank DB12418
EPA CompTox DTXSID5021251
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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