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Compound Detail

CHEMBL459892

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COc1cc2nccc(Oc3ccc(NC(=O)NCc4ccccc4)nc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL459892
Phase Preclinical
Structure Type MOL
InChI Key FSIOLGLMHVNMFJ-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.76
ALogP
6
HBA
2
HBD
94.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O4
MW 430.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 6.0
Ki 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.0 6.0 1000.0 1
Hepatocyte growth factor receptor
CHEMBL3717
Ki 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17964000 10.1016/j.ejmech.2007.08.011 Hepatocyte growth factor receptor 1
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine