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Compound Detail

CHEMBL5555697

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Cc1nc[nH]c1/C=C1\C(=O)Nc2ccc(NC(=O)c3ccccc3)cc21

Basic Information

ChEMBL ID CHEMBL5555697
Phase Preclinical
Structure Type MOL
InChI Key FDJSILGLKCJVAQ-YBEGLDIGSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.46
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N4O2
MW 344.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.06

Activity Summary

IC50 2 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase tousled-like 2
CHEMBL5404
IC50 7.75 7.175 18.0 2

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 2
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