Structure

InChI Key PMJIHLSCWIDGMD-UHFFFAOYSA-N
Smile O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
InChI
InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H14N2O2S
Molecular Weight 334.4
AlogP 3.26
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 44.0
Molecular species None
Aromatic Rings 4.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Glycogen synthase kinase-3 beta inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 5-2000 - - -
Enzyme Protease Cysteine protease
- 600-5900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Myotonic Dystrophy 2 D009223 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 147398
ChEMBL CHEMBL3545157
DrugBank DB12129
EPA CompTox DTXSID90235682
FDA SRS Q747Y6TT42
Guide to Pharmacology 6929
SureChEMBL SCHEMBL676929
ZINC ZINC000013985228