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Compound Detail

CHEMBL3800061

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FC(F)(c1ccc2ncccc2c1)c1nnc2ncc(-c3ccccc3)nn12

Basic Information

ChEMBL ID CHEMBL3800061
Phase Preclinical
Structure Type MOL
InChI Key QGSKEQKZHYYCMA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.87
ALogP
6
HBA
0
HBD
68.9
PSA (Ų)
0.48
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 C20H12F2N6
MW 374.35
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27061987 10.1016/j.ejmech.2016.03.076 Hepatocyte growth factor receptor 2

Data from ChEMBL 36 via Core Engine