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Compound Detail

CHEMBL5856485

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COc1cccc(NC(=O)Nc2ccc(Nc3ncnc4cc(OC)c5c(c34)OCCO5)cc2)c1

Basic Information

ChEMBL ID CHEMBL5856485
Phase Preclinical
Structure Type MOL
InChI Key DSTKGGFDOGZWAI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
4.81
ALogP
8
HBA
3
HBD
115.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N5O5
MW 473.49
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.56 6.56 275.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine