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Compound Detail

CHEMBL3417467

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CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3cccc(F)c3)ccc2=O)c1

Basic Information

ChEMBL ID CHEMBL3417467
Phase Preclinical
Structure Type MOL
InChI Key OFHOOJMOEHCOBA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
4.06
ALogP
7
HBA
2
HBD
88.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28FN5O3
MW 453.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.81

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine