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Compound Detail

CHEMBL3109277

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CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cc(Br)cc(-c4ccccn4)c3)o2)c1

Basic Information

ChEMBL ID CHEMBL3109277
Phase Preclinical
Structure Type MOL
InChI Key SPZMRCAVVHLMHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.4
MW (Da)
5.71
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20BrN3O4S
MW 514.40
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.7 6.7 202.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24368209 10.1016/j.ejmech.2013.11.023 Vascular endothelial growth factor receptor 2 2

Data from ChEMBL 36 via Core Engine