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Compound Detail

CHEMBL5203897

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OC[C@@]1(c2ccc(O)cc2)NC[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL5203897
Phase Preclinical
Structure Type MOL
InChI Key OWBLWUSUABOFPL-VWYCJHECSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
-1.10
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15NO4
MW 225.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.06

Activity Summary

IC50 5 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 6.13 6.13 740.0 1
Acidic alpha-glucosidase
CHEMBL3513
IC50 4.96 4.96 11000.0 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