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Compound Detail

CHEMBL3787205

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COc1ccc2c(OCCn3c(=O)oc4ccc(F)cc43)ccnc2c1

Basic Information

ChEMBL ID CHEMBL3787205
Phase Preclinical
Structure Type MOL
InChI Key BUGLSEVMSZKHBW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.3
MW (Da)
3.37
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.55
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 C19H15FN2O4
MW 354.34
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 6.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.98 6.98 105.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27017548 10.1016/j.ejmech.2016.03.027 NON-PROTEIN TARGET 1
27017548 10.1016/j.ejmech.2016.03.027 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine