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Compound Detail

CHEMBL359871

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CC(=O)N1CCn2cc(C3=C(c4cccc5c4OCC5)C(=O)NC3=O)c3cccc(c32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL359871
Phase Preclinical
Structure Type MOL
InChI Key YUFANAGBOIXUIR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
2.51
ALogP
5
HBA
1
HBD
80.6
PSA (Ų)
0.64
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 C25H21N3O4
MW 427.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.31

Activity Summary

IC50 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3
CHEMBL2095188
 IC50 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 IC50 = 1.1 nM 8.96 Inhibitory concentration against the Glycogen synthase kinase-3 15686883

Literature References

PubMed DOI Target Context # Activities
15686883 10.1016/j.bmcl.2004.12.063 Unchecked 3
15686883 10.1016/j.bmcl.2004.12.063 Glycogen synthase kinase-3 1

Data from ChEMBL 36 via Core Engine