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Compound Detail

CHEMBL143419

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Cc1c(C(=O)CCl)csc1C(=O)CCl

Basic Information

ChEMBL ID CHEMBL143419
Phase Preclinical
Structure Type MOL
InChI Key GHHXAADUSXIILW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

251.1
MW (Da)
2.90
ALogP
3
HBA
0
HBD
34.1
PSA (Ų)
0.61
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 C9H8Cl2O2S
MW 251.13
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta IC50 = 5000.0 nM 5.3 Inhibitory activity against glycogen synthase kinase-3 (GSK-3beta). 14561081

Literature References

PubMed DOI Target Context # Activities
14561081 10.1021/jm034108b Glycogen synthase kinase-3 beta 1
14561081 10.1021/jm034108b cAMP-dependent protein kinase (PKA) 1

Data from ChEMBL 36 via Core Engine