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Compound Detail

CHEMBL5630169

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c1ccc(-c2n/c(=N/Cc3cccnc3)sn2-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL5630169
Phase Preclinical
Structure Type MOL
InChI Key ZNSFCSODMWSTIU-XDOYNYLZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
4.10
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N4S
MW 344.44
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.94

Activity Summary

IC50 2 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 7
CHEMBL2111411
IC50 6.42 6.42 380.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
IC50 5.89 5.89 1280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36796299 10.1016/j.ejmech.2023.115194 Phosphodiesterase 7 1
36796299 10.1016/j.ejmech.2023.115194 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine