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Compound Detail

CHEMBL5171754

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Cc1ccc([C@]2(CO)NC[C@@H](O)[C@@H]2O)cc1

Basic Information

ChEMBL ID CHEMBL5171754
Phase Preclinical
Structure Type MOL
InChI Key WUIYGFLHCAIEJT-WOPDTQHZSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
-0.49
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17NO3
MW 223.27
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.55

Activity Summary

IC50 3 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 5.47 5.47 3400.0 1
Acidic alpha-glucosidase
CHEMBL3513
IC50 4.37 4.37 43000.0 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