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Compound Detail

CHEMBL5555831

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O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1ncc[nH]1

Basic Information

ChEMBL ID CHEMBL5555831
Phase Preclinical
Structure Type MOL
InChI Key NUBPTXOKOQSLHZ-XFXZXTDPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
2.73
ALogP
4
HBA
2
HBD
88.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11N3O3
MW 305.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase tousled-like 2
CHEMBL5404
IC50 6.47 6.47 340.0 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