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Compound Detail

CHEMBL365815

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CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4cncn4C)c3)o2)c1

Basic Information

ChEMBL ID CHEMBL365815
Phase Preclinical
Structure Type MOL
InChI Key PQZKVWILKSYPCO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
4.29
ALogP
8
HBA
1
HBD
99.2
PSA (Ų)
0.46
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 C22H22N4O4S
MW 438.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.28

Activity Summary

IC50 2 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.6 7.6 25.0 1
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15743202 10.1021/jm049538w Vascular endothelial growth factor receptor 2 1
15743202 10.1021/jm049538w Vascular endothelial growth factor receptor 1

Data from ChEMBL 36 via Core Engine