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Compound Detail

CHEMBL368426

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O=C1NC(=O)C(c2cn3c4c(cccc24)CNCC3)=C1c1cccc2c1CCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368426
Phase Preclinical
Structure Type MOL
InChI Key HBOIGMCCSYRJJS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.25
ALogP
5
HBA
2
HBD
72.4
PSA (Ų)
0.66
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 C23H19N3O3
MW 385.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.03

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3
CHEMBL2095188
 IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 IC50 = 130.0 nM 6.89 Inhibitory concentration against the Glycogen synthase kinase-3 15686883

Literature References

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

Data from ChEMBL 36 via Core Engine