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Compound Detail

CHEMBL4556899

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COc1ccc(-c2ccc(Cn3cc(-c4cccc(C)c4)nn3)cc2)cn1

Basic Information

ChEMBL ID CHEMBL4556899
Phase Preclinical
Structure Type MOL
InChI Key FPTCXGQQLXJRBO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
4.37
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O
MW 356.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.88

Activity Summary

IC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.96 7.96 11.1 1
EA.hy 926
CHEMBL4296410
IC50 4.36 4.36 43940.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30503935 10.1016/j.ejmech.2018.11.042 Vascular endothelial growth factor receptor 2 1
30503935 10.1016/j.ejmech.2018.11.042 Angiopoietin-1 receptor 1
30503935 10.1016/j.ejmech.2018.11.042 Ephrin type-B receptor 4 1
30503935 10.1016/j.ejmech.2018.11.042 EA.hy 926 1

Data from ChEMBL 36 via Core Engine