Structure

InChI Key QTWZICCBKBYHDM-UHFFFAOYSA-N
Smiles CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2
InChI
InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19N3S
Molecular Weight 285.42
AlogP 4.03
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 18.51
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Inhibition of congo red-induced EGFP-tagged Tau P301L mutant (unknown origin) aggregation expressed in HEK293T cells at 0.5 uM pretreated for 30 mins followed by congo red addition and measured after 24 hrs by DAPI staining-based fluorescence assay Homo sapiens 74.4 %

Cross References

Resources Reference
ChEBI 134180
ChEMBL CHEMBL549963
FDA SRS IHU4GYZ2R3
PubChem 164695
SureChEMBL SCHEMBL109756
ZINC ZINC000005140628