5-(1,3-DIOXOISOINDOLIN-2-YL)-1,3,4-THIADIAZOLE-2-SULFONAMIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key RMFFWZYAEGXMCD-UHFFFAOYSA-N
Smiles NS(=O)(=O)c1nnc(s1)N2C(=O)c3ccccc3C2=O
InChI
InChI=1S/C10H6N4O4S2/c11-20(17,18)10-13-12-9(19-10)14-7(15)5-3-1-2-4-6(5)8(14)16/h1-4H,(H2,11,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H6N4O4S2
Molecular Weight 310.31
AlogP 0.16
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 159.94
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - 61070 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 61070 -

Cross References

Resources Reference
ChEMBL CHEMBL2298875
PubChem 76309675
CONTENTS