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Compound Detail

CHEMBL5549938

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COc1ccccc1C(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2

Basic Information

ChEMBL ID CHEMBL5549938
Phase Preclinical
Structure Type MOL
InChI Key LNIOTFQBQGLNBX-SXGWCWSVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
3.16
ALogP
4
HBA
3
HBD
96.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N4O3
MW 360.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase tousled-like 2
CHEMBL5404
IC50 8.04 8.04 9.1 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