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Compound Detail

CHEMBL1241686

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COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1241686
Phase Preclinical
Structure Type MOL
InChI Key ZEKKSESXTGQCDK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
5.28
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N2O4
MW 426.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 9.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 9.43 9.43 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 0.3715 nM 9.43 Inhibition of human VEGFR2 after 60 mins 19081278

Literature References

PubMed DOI Target Context # Activities
19081278 10.1016/j.jmgm.2008.10.006 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine