GSI-136

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category UNKNOWN
UNII 51JV4753AD
EPA CompTox DTXSID80196152

Structure

InChI Key PYZFRRVBPNGCBX-SECBINFHSA-N
Smiles CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChI
InChI=1S/C11H18ClNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18ClNO3S2
Molecular Weight 311.86
AlogP 2.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 66.4
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0
Assay Description Organism Bioactivity Reference
Inhibition of gamma-secretase expressed in CHO cells expressing human recombinant APP assessed as amyloid beta40 aggregation None 25.0 nM
Inhibition of gamma-secretase-mediated amyloid beta 40/42 accumulation assessed as beta-CTF cleavage by cell-based sandwich ELISA None 28.0 nM
Inhibition of gamma-secretase by Notch-1 cleavage assay None 266.0 nM
Inhibition of gamma-secretase-mediated cleavage of human APP expressed in CHO cells assessed as reduction in amyloid beta42 production after 24 hrs by double sandwich ELISA None 29.0 nM
Inhibition of gamma-secretase-mediated cleavage of human APP expressed in CHO cells assessed as reduction in amyloid beta40 production after 24 hrs by double sandwich ELISA None 29.0 nM
Inhibition of gamma secretase-mediated amyloid beta (1 to 40) production in transgenic 2576 mouse brain at 100 mg/kg, po Mus musculus 25.0 %
Inhibition of gamma secretase-mediated amyloid beta (1 to 42) production in transgenic 2576 mouse brain at 100 mg/kg, po Mus musculus 25.0 %

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL480558
DrugBank DB12819
FDA SRS 51JV4753AD
PubChem 11358855
SureChEMBL SCHEMBL1168789
CONTENTS