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Compound Detail

CHEMBL3414732

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c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3c2)cc1

Basic Information

ChEMBL ID CHEMBL3414732
Phase Preclinical
Structure Type MOL
InChI Key BQOADGBJFIFQSD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
4.54
ALogP
4
HBA
0
HBD
43.1
PSA (Ų)
0.49
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 C22H16N4
MW 336.40
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25699405 10.1021/jm501913a Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine