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Compound Detail

CHEMBL3786136

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COCCOc1ccc2c(OCCn3c(=O)oc4cc(C)ccc43)ccnc2c1

Basic Information

ChEMBL ID CHEMBL3786136
Phase Preclinical
Structure Type MOL
InChI Key FFVYPXGNFGGTPK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
3.56
ALogP
7
HBA
0
HBD
75.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O5
MW 394.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 8.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.46 8.46 3.5 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