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Compound Detail

CHEMBL224235

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O=C(c1ccccc1)n1c(=O)n(-c2ccccc2)c(=O)n1C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224235
Phase Preclinical
Structure Type MOL
InChI Key IRPSPSCQDZDJAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.18
ALogP
7
HBA
0
HBD
83.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15N3O4
MW 385.38
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3
CHEMBL2095188
 IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 IC50 = 100000.0 nM 4.0 Inhibition of rabbit GSK3 16279768

Literature References

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

Data from ChEMBL 36 via Core Engine