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Compound Detail

CHEMBL182468

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O=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1cccc(Cl)c1

Basic Information

ChEMBL ID CHEMBL182468
Phase Preclinical
Structure Type MOL
InChI Key QUVPRPXHCUGNKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.8
MW (Da)
4.89
ALogP
2
HBA
3
HBD
70.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClN3O2
MW 377.83
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.34 7.34 46.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15357981 10.1016/j.bmcl.2004.06.041 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine