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Compound Detail

CHEMBL3417481

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COC(=O)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1

Basic Information

ChEMBL ID CHEMBL3417481
Phase Preclinical
Structure Type MOL
InChI Key ZLKTWELCXNHEIJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

492.5
MW (Da)
4.27
ALogP
8
HBA
1
HBD
104.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25FN4O5
MW 492.51
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25827399 10.1016/j.ejmech.2015.03.041 Hepatocyte growth factor receptor 1
25827399 10.1016/j.ejmech.2015.03.041 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine