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Compound Detail

CHEMBL5276187

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COc1cc(/C=C2/C(=O)Nc3ccc(NC(C)=O)cc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5276187
Phase Preclinical
Structure Type MOL
InChI Key VIEPPENHRPHOFP-VIZOYTHASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.16
ALogP
5
HBA
2
HBD
85.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O5
MW 368.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 IC50 6.63 6.63 233.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta IC50 = 233.0 nM 6.63 Inhibition of recombinant human GSK3beta (636 to 661 residues) assessed as reduc... 37054760

Literature References

PubMed DOI Target Context # Activities
37054760 10.1016/j.bmcl.2023.129283 Glycogen synthase kinase-3 beta 2

Data from ChEMBL 36 via Core Engine