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Compound Detail

CHEMBL201303

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O=C(Nc1ccc(Oc2ccccc2)cc1)c1scnc1CCc1ccncc1

Basic Information

ChEMBL ID CHEMBL201303
Phase Preclinical
Structure Type MOL
InChI Key HDOCUDLZEJKKPA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
5.37
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3O2S
MW 401.49
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.72 5.72 1920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 1920.0 nM 5.72 Inhibitory activity against VEGFR2 by HTRF assay 16275072

Literature References

PubMed DOI Target Context # Activities
16275072 10.1016/j.bmcl.2005.10.058 Vascular endothelial growth factor receptor 2 2
16275072 10.1016/j.bmcl.2005.10.058 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine