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Compound Detail

CHEMBL5175783

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OC[C@@]1(c2cccc(F)c2)NC[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL5175783
Phase Preclinical
Structure Type MOL
InChI Key AIOMIFPYWRTSMA-VWYCJHECSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

227.2
MW (Da)
-0.66
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14FNO3
MW 227.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.09

Activity Summary

IC50 2 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sucrase-isomaltase, intestinal
CHEMBL3114
IC50 5.19 5.19 6500.0 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