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Compound Detail

CHEMBL508006

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O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(C2CC2)c1=O

Basic Information

ChEMBL ID CHEMBL508006
Phase Preclinical
Structure Type MOL
InChI Key KZQHNMSQKVMIOW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
4.24
ALogP
5
HBA
2
HBD
89.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17FN4O3
MW 404.40
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.45

Activity Summary

IC50 2 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 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 1000.0 nM 6.0 Inhibition of MET 18690676
Hepatocyte growth factor receptor IC50 = 1000.0 nM 6.0 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