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Compound Detail

CHEMBL4548105

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CCC(c1ccc2ncccc2c1F)n1cnc2ncc(-c3cnn(C)c3)nc21

Basic Information

ChEMBL ID CHEMBL4548105
Phase Preclinical
Structure Type MOL
InChI Key UFIPTQSDQJKOFD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.91
ALogP
7
HBA
0
HBD
74.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FN7
MW 387.42
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.63

Activity Summary

EC50 1 meas. best 7.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
EC50 7.87 7.87 13.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27448775 10.1016/j.bmc.2016.07.019 Hepatocyte growth factor receptor 1
27448775 10.1016/j.bmc.2016.07.019 NCI-H1993 1

Data from ChEMBL 36 via Core Engine