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Compound Detail

CHEMBL4847126

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Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)c(Cl)c2)c2c(N)ncnc21

Basic Information

ChEMBL ID CHEMBL4847126
Phase Preclinical
Structure Type MOL
InChI Key AGDRQXKCLKCKEA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

587.1
MW (Da)
5.52
ALogP
8
HBA
2
HBD
117.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28ClFN6O3
MW 587.06
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -1.08

Activity Summary

IC50 2 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 8.43 8.43 3.7 1
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.39 7.39 40.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33957388 10.1016/j.ejmech.2021.113497 Tyrosine-protein kinase receptor UFO 1
33957388 10.1016/j.ejmech.2021.113497 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine