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Compound Detail

CHEMBL203243

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CC(C)c1ccc(NC(=O)c2ccccc2Cn2ccc3cnccc32)cc1

Basic Information

ChEMBL ID CHEMBL203243
Phase Preclinical
Structure Type MOL
InChI Key VZLXMVSBJXRICD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
5.46
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O
MW 369.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.54

Activity Summary

IC50 2 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.06 7.06 87.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.27 6.27 540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16364640 10.1016/j.bmcl.2005.11.105 Vascular endothelial growth factor receptor 2 1
16364640 10.1016/j.bmcl.2005.11.105 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine