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Compound Detail

CHEMBL4470139

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Nc1cccc(-c2cn(Cc3ccc(-c4cn[nH]c4)cc3)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4470139
Phase Preclinical
Structure Type MOL
InChI Key CQVOPNSLELWKJO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.97
ALogP
5
HBA
2
HBD
85.4
PSA (Ų)
0.57
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 C18H16N6
MW 316.37
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.80

Activity Summary

IC50 1 meas.

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