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Compound Detail

CHEMBL200818

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CCN1CCN(C2=CC(=O)C(Nc3ncnc4cc(OCCOC)c(OC)cc34)=CC2=O)CC1

Basic Information

ChEMBL ID CHEMBL200818
Phase Preclinical
Structure Type MOL
InChI Key VZJKXXJUTFHHOB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
1.63
ALogP
10
HBA
1
HBD
106.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N5O5
MW 467.53
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.55

Activity Summary

IC50 2 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.88 6.725 133.0 2

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 4

Data from ChEMBL 36 via Core Engine