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Compound Detail

CHEMBL3414735

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Fc1cc(-c2ccccn2)cn2c(C(F)(F)c3ccc4ncccc4c3)nnc12

Basic Information

ChEMBL ID CHEMBL3414735
Phase Preclinical
Structure Type MOL
InChI Key FNHHDCYFEVVVAX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
4.62
ALogP
5
HBA
0
HBD
56.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H12F3N5
MW 391.36
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.50

Activity Summary

IC50 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.92 7.71 12.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25699405 10.1021/jm501913a Hepatocyte growth factor receptor 2
25699405 10.1021/jm501913a Cytochrome P450 2D6 1
25699405 10.1021/jm501913a Cytochrome P450 3A4 1
25699405 10.1021/jm501913a Liver microsome 1

Data from ChEMBL 36 via Core Engine