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Compound Detail

CHEMBL5555777

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CCCC(=O)c1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2

Basic Information

ChEMBL ID CHEMBL5555777
Phase Preclinical
Structure Type MOL
InChI Key QADLBZXZAUNROD-QPEQYQDCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.89
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O2
MW 281.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase tousled-like 2
CHEMBL5404
IC50 6.64 6.64 230.0 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

Data from ChEMBL 36 via Core Engine