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Compound Detail

CHEMBL323523

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CCOC(=O)c1c[nH]c(/C=C2/C(=O)Nc3ccccc32)c1C

Basic Information

ChEMBL ID CHEMBL323523
Phase Preclinical
Structure Type MOL
InChI Key FRFBYLIZAQERFO-XYOKQWHBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
2.99
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.68
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 C17H16N2O3
MW 296.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL3337
IC50 6.74 6.74 182.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10956210 10.1021/jm990609e Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine