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Compound Detail

CHEMBL5542171

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CCCC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2

Basic Information

ChEMBL ID CHEMBL5542171
Phase Preclinical
Structure Type MOL
InChI Key ASQQECGBHUBPPX-ZROIWOOFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
3.25
ALogP
2
HBA
3
HBD
74.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O2
MW 295.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase tousled-like 2
CHEMBL5404
IC50 6.77 6.77 170.0 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