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Compound Detail

CHEMBL5180919

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COc1ccc([C@@]2(CO)NC[C@H](O)[C@H]2O)cc1OC

Basic Information

ChEMBL ID CHEMBL5180919
Phase Preclinical
Structure Type MOL
InChI Key QGSDLTWUJJDJQM-ZWKOPEQDSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
-0.78
ALogP
6
HBA
4
HBD
91.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19NO5
MW 269.30
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.70

Activity Summary

IC50 3 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 5.6 5.6 2500.0 1
Acidic alpha-glucosidase
CHEMBL3513
IC50 4.22 4.22 60000.0 1
Unchecked
CHEMBL612545
IC50 4.19 4.19 64000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35255314 10.1016/j.ejmech.2022.114230 Unchecked 12
35255314 10.1016/j.ejmech.2022.114230 Acidic alpha-glucosidase 1
35255314 10.1016/j.ejmech.2022.114230 Sucrase-isomaltase, intestinal 1
35255314 10.1016/j.ejmech.2022.114230 Lysosomal alpha-glucosidase 1
35255314 10.1016/j.ejmech.2022.114230 Alpha-galactosidase 1
35255314 10.1016/j.ejmech.2022.114230 Alpha-mannosidase 1
35255314 10.1016/j.ejmech.2022.114230 Tissue alpha-L-fucosidase 1

Data from ChEMBL 36 via Core Engine