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Compound Detail

CHEMBL461120

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COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)CN4CCCCC4)nc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL461120
Phase Preclinical
Structure Type MOL
InChI Key FZVITEHDEHGFBR-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
3.57
ALogP
8
HBA
2
HBD
114.9
PSA (Ų)
0.54
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 C24H27N5O5
MW 465.51
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 6.3
Ki 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.3 6.3 500.0 1
Hepatocyte growth factor receptor
CHEMBL3717
Ki 6.3 6.3 500.0 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