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Compound Detail

CHEMBL4516255

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Cn1cc(-c2ccc(Cn3cc(-c4cccc(N)c4)nn3)cc2)cn1

Basic Information

ChEMBL ID CHEMBL4516255
Phase Preclinical
Structure Type MOL
InChI Key JUXBIVVGUPTXSZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.98
ALogP
6
HBA
1
HBD
74.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N6
MW 330.40
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.97

Activity Summary

IC50 1 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
EA.hy 926
CHEMBL4296410
IC50 4.66 4.66 22010.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
EA.hy 926 IC50 = 22010.0 nM 4.66 Antiproliferative activity against human EAhy926 cells assessed as reduction in ... 30616052

Literature References

PubMed DOI Target Context # Activities
30616052 10.1016/j.ejmech.2018.12.067 EA.hy 926 2
30616052 10.1016/j.ejmech.2018.12.067 Vascular endothelial growth factor receptor 2 1
30616052 10.1016/j.ejmech.2018.12.067 Angiopoietin-1 receptor 1
30616052 10.1016/j.ejmech.2018.12.067 Ephrin type-B receptor 4 1

Data from ChEMBL 36 via Core Engine