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Compound Detail

CHEMBL4470543

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COc1cc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c5c(c34)OCCO5)cc2)ccn1

Basic Information

ChEMBL ID CHEMBL4470543
Phase Preclinical
Structure Type MOL
InChI Key FALKRMALMYZZJE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
4.25
ALogP
9
HBA
2
HBD
126.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N5O6
MW 475.46
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31096155 10.1016/j.ejmech.2019.04.015 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine