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Compound Detail

CHEMBL3706836

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COc1cc2c(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1

Basic Information

ChEMBL ID CHEMBL3706836
Phase Preclinical
Structure Type MOL
InChI Key SACPCUARWZUCEL-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

514.6
MW (Da)
4.05
ALogP
9
HBA
1
HBD
102.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30N4O5
MW 514.58
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.24

Activity Summary

IC50 3 meas. best 7.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.86 7.71 13.7 3

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