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Compound Detail

CHEMBL2203321

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O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(Oc2ccc3nccn3n2)c1

Basic Information

ChEMBL ID CHEMBL2203321
Phase Preclinical
Structure Type MOL
InChI Key JSYFYBXDIWICOP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
5.18
ALogP
5
HBA
2
HBD
80.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14F3N5O2
MW 413.36
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.15

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23123015 10.1016/j.bmc.2012.10.004 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine