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Compound Detail

CHEMBL404497

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CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)-c1cn(C)nc1CC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL404497
Phase Preclinical
Structure Type MOL
InChI Key MUVCNULFUOVFHT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.27
ALogP
4
HBA
2
HBD
79.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N4O2
MW 370.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 0.05

Activity Summary

IC50 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.46 7.46 35.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 35.0 nM 7.46 Inhibition of VEGFR2 18343109

Literature References

PubMed DOI Target Context # Activities
18343109 10.1016/j.bmcl.2008.02.069 Angiopoietin-1 receptor 2
18343109 10.1016/j.bmcl.2008.02.069 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine