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Compound Detail

CHEMBL3706820

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COCCOc1cc2ncnc(NC3=CC(=O)C(N4CCCC4)=CC3=O)c2cc1OC

Basic Information

ChEMBL ID CHEMBL3706820
Phase Preclinical
Structure Type MOL
InChI Key MEDSDHSCNNERBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
2.09
ALogP
9
HBA
1
HBD
102.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N4O5
MW 424.46
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.32

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.43 6.43 371.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16302797 10.1021/jm050559f Vascular endothelial growth factor receptor 2 3

Data from ChEMBL 36 via Core Engine