Compound Detail

CHEMBL5198563

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CCCC[C@@]1(CO)NC[C@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5198563
Phase	Preclinical
Structure Type	MOL
InChI Key	WFWDQINWGQVJDA-YIZRAAEISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

189.2

MW (Da)

-0.77

ALogP

HBA

HBD

72.7

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 5 meas. best 6.66

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Acidic alpha-glucosidase CHEMBL3513	IC50	6.66	6.66	220.0	1
Sucrase-isomaltase, intestinal CHEMBL3114	IC50	6.64	5.765	230.0	2
Lysosomal alpha-glucosidase CHEMBL2608	IC50	5.62	5.62	2400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Acidic alpha-glucosidase	IC50	=	220.0	nM	6.66	Inhibition of rat intestinal maltase assessed as release of D-glucose using malt...	35255314
Sucrase-isomaltase, intestinal	IC50	=	230.0	nM	6.64	Inhibition of rat intestinal sucrase assessed as release of p-nitrophenol using ...	35255314
Lysosomal alpha-glucosidase	IC50	=	2400.0	nM	5.62	Inhibition of human lysosomal alpha glucosidase assessed as release of p-nitroph...	35255314
Sucrase-isomaltase, intestinal	IC50	=	13000.0	nM	4.89	Inhibition of rat intestinal isomaltase assessed as release of p-nitrophenol usi...	35255314

PubMed	DOI	Target Context	# Activities
35255314	10.1016/j.ejmech.2022.114230	Sucrase-isomaltase, intestinal	2
35255314	10.1016/j.ejmech.2022.114230	Unchecked	2
35255314	10.1016/j.ejmech.2022.114230	Acidic alpha-glucosidase	1
35255314	10.1016/j.ejmech.2022.114230	Lysosomal alpha-glucosidase	1

Data from ChEMBL 36 via Core Engine