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Compound Detail

CHEMBL1254193

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Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccn4)c(Cl)c3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1254193
Phase Preclinical
Structure Type MOL
InChI Key JZADYPMFQOBMGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.8
MW (Da)
5.47
ALogP
6
HBA
2
HBD
94.0
PSA (Ų)
0.42
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 C20H14ClF3N6O2
MW 462.82
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 8.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.57 8.57 2.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 2.7 nM 8.57 Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells 20833551

Literature References

PubMed DOI Target Context # Activities
20833551 10.1016/j.bmc.2010.08.042 Vascular endothelial growth factor receptor 2 1
20833551 10.1016/j.bmc.2010.08.042 Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine