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Compound Detail

CHEMBL3397480

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CN1C(=O)C(=O)c2c1ccc1c2C(CC(=O)O)Oc2ccccc2-1

Basic Information

ChEMBL ID CHEMBL3397480
Phase Preclinical
Structure Type MOL
InChI Key ZFGIRTDOCKQENX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
2.42
ALogP
4
HBA
1
HBD
83.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13NO5
MW 323.30
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.50

Activity Summary

IC50 1 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oligo-1,6-glucosidase IMA1
CHEMBL5848
IC50 4.54 4.54 29000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25759031 10.1016/j.bmcl.2015.02.031 Oligo-1,6-glucosidase IMA1 1

Data from ChEMBL 36 via Core Engine