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Compound Detail

CHEMBL3417478

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O=C(Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1)OCCCCN1CCOCC1

Basic Information

ChEMBL ID CHEMBL3417478
Phase Preclinical
Structure Type MOL
InChI Key FIFFKGUJOGLHFQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
4.04
ALogP
8
HBA
1
HBD
90.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30FN5O4
MW 519.58
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.62 7.62 24.0 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