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Compound Detail

CHEMBL241466

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Cn1cnc(NCCc2ccc3c(c2)OCO3)c1C(=O)Nc1ccc(C(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL241466
Phase Preclinical
Structure Type MOL
InChI Key BPKFWXHEWJBXSS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
4.07
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F3N4O3
MW 432.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.06

Activity Summary

IC50 2 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 5.78 5.78 1680.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.59 5.59 2550.0 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