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Compound Detail

CHEMBL5574737

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COc1ccc(-c2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)nc(O)c2C#N)cc1

Basic Information

ChEMBL ID CHEMBL5574737
Phase Preclinical
Structure Type MOL
InChI Key SNXZUTHORCCCOO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
5.65
ALogP
5
HBA
3
HBD
107.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20N4O3
MW 436.47
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.14

Activity Summary

IC50 2 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.28 6.28 520.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.96 5.96 1100.0 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