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Compound Detail

CHEMBL324335

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c1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cs1

Basic Information

ChEMBL ID CHEMBL324335
Phase Preclinical
Structure Type MOL
InChI Key YUAOWJBCURIMGN-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.84
ALogP
7
HBA
0
HBD
51.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O2S
MW 406.51
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.14

Activity Summary

IC50 4 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.4 8.1533 4.0 3
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 7.66 7.66 22.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27894044 10.1016/j.ejmech.2016.11.019 Vascular endothelial growth factor receptor 2 2
12443771 10.1016/s0960-894x(02)00827-2 Vascular endothelial growth factor receptor 2 1
12443771 10.1016/s0960-894x(02)00827-2 Vascular endothelial growth factor receptor 1

Data from ChEMBL 36 via Core Engine