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Compound Detail

CHEMBL183174

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Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL183174
Phase Preclinical
Structure Type MOL
InChI Key UCOGAOPSFPFQQE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
5.57
ALogP
2
HBA
3
HBD
70.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18F3N3O2
MW 425.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15357981 10.1016/j.bmcl.2004.06.041 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine