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Compound Detail

CHEMBL3417464

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CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(Nc3cccc(C(F)(F)F)c3)ccc2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3417464
Phase Preclinical
Structure Type MOL
InChI Key RXMNFINHJRVEIC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

503.5
MW (Da)
4.94
ALogP
7
HBA
2
HBD
88.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28F3N5O3
MW 503.53
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 160.0 nM 6.8 Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substra... 25827399

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