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Compound Detail

CHEMBL5189340

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CN(C)c1ccc(/C=N/NC(=O)Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)cc1

Basic Information

ChEMBL ID CHEMBL5189340
Phase Preclinical
Structure Type MOL
InChI Key WQIVPDKBAHQPEF-LQKURTRISA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

474.0
MW (Da)
3.86
ALogP
6
HBA
1
HBD
79.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24ClN5O2
MW 473.96
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.84

Activity Summary

IC50 2 meas. best 10.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 10.64 10.64 0.0 1
Epidermal growth factor receptor
CHEMBL203
IC50 9.35 9.35 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33129590 10.1016/j.ejmech.2020.112946 Vascular endothelial growth factor receptor 2 1
33129590 10.1016/j.ejmech.2020.112946 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine