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Compound Detail

CHEMBL4470400

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COc1ccc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)cn1

Basic Information

ChEMBL ID CHEMBL4470400
Phase Preclinical
Structure Type MOL
InChI Key DHCIMAVXPHVRLC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.06
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.55
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 C21H18N4O
MW 342.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.72

Activity Summary

IC50 2 meas. best 7.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.98 7.98 10.6 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