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Compound Detail

CHEMBL249192

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CCOC(=O)c1coc(-c2cccc(NC(=O)c3cccnc3NCc3ccncc3)c2)c1

Basic Information

ChEMBL ID CHEMBL249192
Phase Preclinical
Structure Type MOL
InChI Key WILBIYXJUQSQLP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
4.78
ALogP
7
HBA
2
HBD
106.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N4O4
MW 442.48
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.17

Activity Summary

Ki 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 Ki = 29.0 nM 7.54 Inhibition of phosphorylated-Kdr after 30 mins 17869515

Literature References

PubMed DOI Target Context # Activities
17869515 10.1016/j.bmcl.2007.07.077 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine