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Compound Detail

CHEMBL26551

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CCn1c(=O)sn(C(C)C)c1=O

Basic Information

ChEMBL ID CHEMBL26551
Phase Preclinical
Structure Type MOL
InChI Key DLGHVUQYPMHDTD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

188.2
MW (Da)
0.67
ALogP
5
HBA
0
HBD
44.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H12N2O2S
MW 188.25
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.78

Activity Summary

IC50 2 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3
CHEMBL2095188
IC50 4.46 4.46 35000.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
IC50 4.46 4.46 35000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11881998 10.1021/jm011020u Glycogen synthase kinase-3 beta 1
16279768 10.1021/jm040895g Glycogen synthase kinase-3 1

Data from ChEMBL 36 via Core Engine