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Compound Detail

CHEMBL6000551

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COc1cc2ncnc(Nc3ccc(NC(=O)Nc4cc(C)no4)c(Cl)c3)c2c2c1OCCO2

Basic Information

ChEMBL ID CHEMBL6000551
Phase Preclinical
Structure Type MOL
InChI Key XBUWWQGGYZAYOQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.9
MW (Da)
4.75
ALogP
9
HBA
3
HBD
132.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19ClN6O5
MW 482.88
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.54

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