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Compound Detail

CHEMBL3798130

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Brc1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1

Basic Information

ChEMBL ID CHEMBL3798130
Phase Preclinical
Structure Type MOL
InChI Key REHLIKVJTUUECZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.3
MW (Da)
4.09
ALogP
6
HBA
0
HBD
68.9
PSA (Ų)
0.44
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 C20H13BrN6
MW 417.27
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 8.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.38 8.38 4.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27061987 10.1016/j.ejmech.2016.03.076 TPR/MET fusion protein 2
27061987 10.1016/j.ejmech.2016.03.076 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine