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Compound Detail

CHEMBL361765

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CC(=O)N1CCn2cc(C3=C(c4cccc5ccoc45)C(=O)NC3=O)c3cccc(c32)C1

Basic Information

ChEMBL ID CHEMBL361765
Phase Preclinical
Structure Type MOL
InChI Key FQGBFYNAGSGZFG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
3.32
ALogP
5
HBA
1
HBD
84.5
PSA (Ų)
0.50
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 C25H19N3O4
MW 425.44
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3
CHEMBL2095188
IC50 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 IC50 = 1.5 nM 8.82 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