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Compound Detail

CHEMBL3402759

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COc1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc(OCCCN(C)C)cn4)c3)n2)c1

Basic Information

ChEMBL ID CHEMBL3402759
Phase Preclinical
Structure Type MOL
InChI Key RTKBHBAMZLAVKQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
3.75
ALogP
8
HBA
0
HBD
82.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N5O3
MW 471.56
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.55

Activity Summary

IC50 2 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.24 7.47 5.7 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25736998 10.1016/j.bmcl.2015.02.002 Hepatocyte growth factor receptor 2
25736998 10.1016/j.bmcl.2015.02.002 No relevant target 1

Data from ChEMBL 36 via Core Engine