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Compound Detail

CHEMBL5559472

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O=C1Nc2ccc(NC(=O)c3cc4sccc4s3)cc2/C1=C/c1cnc[nH]1

Basic Information

ChEMBL ID CHEMBL5559472
Phase Preclinical
Structure Type MOL
InChI Key PNASEKBIBWZPNN-MLPAPPSSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.43
ALogP
5
HBA
3
HBD
86.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12N4O2S2
MW 392.47
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase tousled-like 2
CHEMBL5404
IC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38636130 10.1016/j.ejmech.2024.116357 Serine/threonine-protein kinase tousled-like 2 1
38636130 10.1016/j.ejmech.2024.116357 Receptor-type tyrosine-protein kinase FLT3 1
38636130 10.1016/j.ejmech.2024.116357 NT-3 growth factor receptor 1
38636130 10.1016/j.ejmech.2024.116357 Serine/threonine-protein kinase tousled-like 1 1

Data from ChEMBL 36 via Core Engine