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Compound Detail

CHEMBL381973

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CCOC(=O)c1cn2ncnc(Oc3ccc4[nH]ccc4c3)c2c1C(C)C

Basic Information

ChEMBL ID CHEMBL381973
Phase Preclinical
Structure Type MOL
InChI Key ITPVQKYFDVJVFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
4.30
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O3
MW 364.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.88

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 Inhibitory activity against VEGFR2 16570908

Literature References

PubMed DOI Target Context # Activities
16570908 10.1021/jm051106d Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine