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Compound Detail

CHEMBL508403

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O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccc(-c2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL508403
Phase Preclinical
Structure Type MOL
InChI Key PGLMTHFDBWHAIP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
5.81
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17FN4O2
MW 424.44
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.49

Activity Summary

IC50 2 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.33 6.33 470.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 470.0 nM 6.33 Inhibition of MET 18690676
Hepatocyte growth factor receptor IC50 = 470.0 nM 6.33 Inhibition of human c-MET 21641696

Literature References

PubMed DOI Target Context # Activities
18690676 10.1021/jm800476q Hepatocyte growth factor receptor 1
18690676 10.1021/jm800476q NON-PROTEIN TARGET 1
18690676 10.1021/jm800476q NCI-N87 1
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine