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Compound Detail

CHEMBL3633696

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CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cccc(-c4ccccn4)c3)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633696
Phase Preclinical
Structure Type MOL
InChI Key UUTWVNZEPNZADQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
3.88
ALogP
8
HBA
1
HBD
99.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O3S
MW 435.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.10

Activity Summary

IC50 1 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 4.38 4.38 42000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 42000.0 nM 4.38 Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect... 26344911

Literature References

PubMed DOI Target Context # Activities
26344911 10.1016/j.ejmech.2015.08.012 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine