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Compound Detail

CHEMBL1242575

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COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(C)cc3)c2cc1C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1242575
Phase Preclinical
Structure Type MOL
InChI Key QWAQVDNQAPHFAG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.5
MW (Da)
5.98
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N3O5
MW 483.52
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 0.5012 nM 9.3 Inhibition of human VEGFR2 after 60 mins 19081278

Literature References

PubMed DOI Target Context # Activities
19081278 10.1016/j.jmgm.2008.10.006 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine