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Compound Detail

CHEMBL183025

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Cc1cccc(NC(=O)Nc2ccc(-c3ccc(NC(=O)c4ccccc4)c4c3CNC4=O)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL183025
Phase Preclinical
Structure Type MOL
InChI Key WLYXXRYIFCMOEL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
5.80
ALogP
3
HBA
4
HBD
99.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H24N4O3
MW 476.54
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 6.33 6.33 470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 470.0 nM 6.33 Inhibition of Vascular endothelial growth factor receptor 2 (KDR) 15357981

Literature References

PubMed DOI Target Context # Activities
15357981 10.1016/j.bmcl.2004.06.041 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine