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Compound Detail

CHEMBL255746

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Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255746
Phase Preclinical
Structure Type MOL
InChI Key BEEFOSWSKBSHCE-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

378.8
MW (Da)
4.50
ALogP
4
HBA
4
HBD
108.7
PSA (Ų)
0.42
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 C19H15ClN6O
MW 378.82
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.35

Activity Summary

IC50 6 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 9.0 8.91 1.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 1.0 nM 9.0 Inhibition of KDR by HTRF assay 18023347
Vascular endothelial growth factor receptor 2 IC50 = 1.0 nM 9.0 Inhibition of KDR kinase activity (unknown origin) -
Vascular endothelial growth factor receptor 2 IC50 = 1.0 nM 9.0 Inhibition of KDR kinase activity (unknown origin) -
Vascular endothelial growth factor receptor 2 IC50 = 1.5 nM 8.82 Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells 18023347
Vascular endothelial growth factor receptor 2 IC50 = 1.5 nM 8.82 Inhibition of KDR (unknown origin) in cell-based assay -
Vascular endothelial growth factor receptor 2 IC50 = 1.5 nM 8.82 Inhibition of KDR (unknown origin) in cell-based assay -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9926-4 Vascular endothelial growth factor receptor 2 4
18023347 10.1016/j.bmcl.2007.10.018 Vascular endothelial growth factor receptor 2 2
18023347 10.1016/j.bmcl.2007.10.018 Mus musculus 1
18023347 10.1016/j.bmcl.2007.10.018 No relevant target 1

Data from ChEMBL 36 via Core Engine