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Compound Detail

CHEMBL4449321

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FC(F)(F)c1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4449321
Phase Preclinical
Structure Type MOL
InChI Key IXSKLHXJQZQUJH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
5.07
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15F3N4
MW 380.37
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.72

Activity Summary

IC50 1 meas.

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