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Compound Detail

CHEMBL208911

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O=C(NC1CCCC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL208911
Phase Preclinical
Structure Type MOL
InChI Key YOZDMQXHRFUDKR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
4.71
ALogP
6
HBA
3
HBD
78.9
PSA (Ų)
0.52
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 C21H22FN5OS
MW 411.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.21

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 110.0 nM 6.96 Inhibition of VEGFR2 16789733

Literature References

PubMed DOI Target Context # Activities
16789733 10.1021/jm060347y L2987 1
16789733 10.1021/jm060347y Vascular endothelial growth factor receptor 2 1
16789733 10.1021/jm060347y HUVEC 1

Data from ChEMBL 36 via Core Engine