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Compound Detail

CHEMBL6028431

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COc1cc2ncnc(Nc3ccc(NC(=O)NC4CCCCC4)c(Cl)c3)c2c2c1OCCO2

Basic Information

ChEMBL ID CHEMBL6028431
Phase Preclinical
Structure Type MOL
InChI Key XPTFPKBOFBPFSV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.0
MW (Da)
5.26
ALogP
7
HBA
3
HBD
106.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26ClN5O4
MW 483.96
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 5.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.56 5.56 2750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine