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Compound Detail

CHEMBL240209

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Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL240209
Phase Preclinical
Structure Type MOL
InChI Key CXDIVNNNEZJXQW-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
4.72
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15F6N5O
MW 443.35
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.56

Activity Summary

IC50 3 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.89 6.465 130.0 2
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.08 6.08 840.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17188873 10.1016/j.bmcl.2006.11.087 Vascular endothelial growth factor receptor 2 2
17188873 10.1016/j.bmcl.2006.11.087 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine