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Compound Detail

CHEMBL178899

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COC(=O)c1cn2ncnc(Nc3ccc(C(F)(F)F)c(O)c3)c2c1C

Basic Information

ChEMBL ID CHEMBL178899
Phase Preclinical
Structure Type MOL
InChI Key CUUDGRBWRUABBZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
3.29
ALogP
7
HBA
2
HBD
88.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F3N4O3
MW 366.30
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15713401 10.1016/j.bmcl.2004.12.079 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine