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Compound Detail

CHEMBL3311517

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OC[C@@H]1N[C@@H](CCCCc2ccc(O)cc2)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL3311517
Phase Preclinical
Structure Type MOL
InChI Key FSTMLQIUWBDDRD-AJNGGQMLSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
0.16
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23NO4
MW 281.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.63

Activity Summary

IC50 3 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 6.96 6.09 110.0 2
Acidic alpha-glucosidase
CHEMBL3513
IC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24973028 10.1016/j.bmcl.2014.06.001 Sucrase-isomaltase, intestinal 2
24973028 10.1016/j.bmcl.2014.06.001 Acidic alpha-glucosidase 1

Data from ChEMBL 36 via Core Engine