Compound Detail

CHEMBL5189075

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OC[C@]1(c2ccccc2)NC[C@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5189075
Phase	Preclinical
Structure Type	MOL
InChI Key	WOGBPTSLHJLKOL-HBNTYKKESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

209.2

MW (Da)

-0.80

ALogP

HBA

HBD

72.7

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 5 meas. best 6.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Acidic alpha-glucosidase CHEMBL3513	IC50	6.72	6.72	190.0	1
Sucrase-isomaltase, intestinal CHEMBL3114	IC50	6.32	5.41	480.0	2
Lysosomal alpha-glucosidase CHEMBL2608	IC50	6.2	6.2	630.0	1
Unchecked CHEMBL612545	IC50	4.15	4.15	71000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Acidic alpha-glucosidase	IC50	=	190.0	nM	6.72	Inhibition of rat intestinal maltase assessed as release of D-glucose using malt...	35255314
Sucrase-isomaltase, intestinal	IC50	=	480.0	nM	6.32	Inhibition of rat intestinal sucrase assessed as release of p-nitrophenol using ...	35255314
Lysosomal alpha-glucosidase	IC50	=	630.0	nM	6.2	Inhibition of human lysosomal alpha glucosidase assessed as release of p-nitroph...	35255314
Sucrase-isomaltase, intestinal	IC50	=	32000.0	nM	4.5	Inhibition of rat intestinal isomaltase assessed as release of p-nitrophenol usi...	35255314
Unchecked	IC50	=	71000.0	nM	4.15	Inhibition of bovine liver beta-glucosidase assessed as release of p-nitrophenol...	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