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Compound Detail

CHEMBL5175996

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Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(F)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5175996
Phase Preclinical
Structure Type MOL
InChI Key SFWPKHQERWMGGF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.3
MW (Da)
3.63
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13FN2O3
MW 360.34
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 IC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta IC50 = 0.4 nM 9.4 Inhibition of GSK-3beta (unknown origin) 35390715

Literature References

PubMed DOI Target Context # Activities
35390715 10.1016/j.ejmech.2022.114301 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine