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Compound Detail

CHEMBL375657

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O=c1ssc(=O)n1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL375657
Phase Preclinical
Structure Type MOL
InChI Key SKCGCPUZUCLKTM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

211.3
MW (Da)
1.32
ALogP
5
HBA
0
HBD
39.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H5NO2S2
MW 211.27
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3
CHEMBL2095188
IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 IC50 = 12000.0 nM 4.92 Inhibition of rabbit GSK3 16279768

Literature References

PubMed DOI Target Context # Activities
16279768 10.1021/jm040895g Glycogen synthase kinase-3 1

Data from ChEMBL 36 via Core Engine