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 DHMHCOUXNKECGX-UHFFFAOYSA-N
Smiles O=C1CCC(=NN1c2ccc(cc2)S(=O)(=O)NC(=S)NCc3ccccc3)c4ccccc4
InChI
InChI=1S/C24H22N4O3S2/c29-23-16-15-22(19-9-5-2-6-10-19)26-28(23)20-11-13-21(14-12-20)33(30,31)27-24(32)25-17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,25,27,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H22N4O3S2
Molecular Weight 478.59
AlogP 4.2
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 131.34
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 33.0
Assay Description Organism Bioactivity Reference
Antihyperglycemic activity in Rattus norvegicus Wistar albino (rat) assessed as blood glucose level at 20 mg/kg, po administered 30 min before 3 g/kg, po glucose challenge by oral glucose tolerance test (Rvb = 149 +/- 6.3 mg/dl) Rattus norvegicus 139.0 mg/dl
Antihyperglycemic activity in Rattus norvegicus Wistar albino (rat) assessed as reduction in blood glucose level at 20 mg/kg, po administered 30 min before 3 g/kg, po glucose challenge by oral glucose tolerance test Rattus norvegicus 26.6 %

Cross References

Resources Reference
ChEMBL CHEMBL2236044