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Compound Detail

CHEMBL351342

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CSc1ccc(NC2=C(c3ccc(Cl)cc3)C(=O)NC2=O)cc1

Basic Information

ChEMBL ID CHEMBL351342
Phase Preclinical
Structure Type MOL
InChI Key OGZGOMXAESDRGG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

344.8
MW (Da)
3.54
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN2O2S
MW 344.82
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.80

Activity Summary

IC50 2 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
IC50 6.28 6.28 529.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta IC50 = 529.0 nM 6.28 Inhibition of recombinant GSK3-beta 18324764

Literature References

PubMed DOI Target Context # Activities
11266159 10.1016/s0960-894x(00)00721-6 Glycogen synthase kinase-3 alpha 1
18324764 10.1021/jm7009765 Glycogen synthase kinase-3 beta 1
- 10.6019/CHEMBL3988181 Unchecked 1

Data from ChEMBL 36 via Core Engine