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Compound Detail

CHEMBL2206665

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O=C(Nc1cccc(Oc2ccc3nccn3n2)c1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL2206665
Phase Preclinical
Structure Type MOL
InChI Key QXXOTAZGPKNRIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.77
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N4O2
MW 330.35
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.11

Activity Summary

IC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.1 7.1 80.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23123015 10.1016/j.bmc.2012.10.004 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine