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Compound Detail

CHEMBL5583996

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N#Cc1c(-c2cccc(Cl)c2Cl)cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc1O

Basic Information

ChEMBL ID CHEMBL5583996
Phase Preclinical
Structure Type MOL
InChI Key BIQJCRVAKMGXKP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

475.3
MW (Da)
6.94
ALogP
4
HBA
3
HBD
98.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H16Cl2N4O2
MW 475.34
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.37

Activity Summary

IC50 2 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.39 6.39 410.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.04 6.04 920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39026631 10.1039/d4md00280f Hepatocyte growth factor receptor 1
39026631 10.1039/d4md00280f Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine