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Compound Detail

CHEMBL574628

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C=CCN1CCN(C(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)C1=O

Basic Information

ChEMBL ID CHEMBL574628
Phase Preclinical
Structure Type MOL
InChI Key HUJDVSDTOYLYKD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
4.64
ALogP
6
HBA
1
HBD
93.2
PSA (Ų)
0.51
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 C24H23FN4O5
MW 466.47
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.19

Activity Summary

IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.7 6.7 200.0 1
Unchecked
CHEMBL612545
IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19854051 10.1016/j.bmcl.2009.10.040 Hepatocyte growth factor receptor 2
19854051 10.1016/j.bmcl.2009.10.040 Unchecked 1

Data from ChEMBL 36 via Core Engine