Structure

InChI Key SNKZJIOFVMKAOJ-UHFFFAOYSA-N
Smiles NCCCS(=O)(=O)O
InChI
InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H9NO3S
Molecular Weight 139.18
AlogP -0.78
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 80.39
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 8.0

Pharmacology

Mechanism of Action Action Reference
Beta amyloid A4 protein stabiliser STABILISER PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 18
Rattus norvegicus
- 300 - - -

Target Conservation

Protein: Beta amyloid A4 protein

Description: Amyloid-beta precursor protein

Organism : Homo sapiens

P05067 ENSG00000142192

Cross References

Resources Reference
ChEBI 1457
ChEMBL CHEMBL149082
DrugBank DB06527
FDA SRS 5K8EAX0G53
KEGG C03349
PDB A20
PubChem 1646
SureChEMBL SCHEMBL26759
ZINC ZINC000001529636