Compound Detail

CHEMBL1090539

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CCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1090539
Phase	Preclinical
Structure Type	MOL
InChI Key	CNCWFVJLRHKDJX-RMPHRYRLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

247.3

MW (Da)

-0.63

ALogP

HBA

HBD

93.0

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sucrase-isomaltase, intestinal CHEMBL3114	IC50	6.51	6.065	310.0	2
Lysosomal acid glucosylceramidase CHEMBL2179	IC50	5.38	5.38	4200.0	1
Acidic alpha-glucosidase CHEMBL3513	IC50	5.33	5.33	4700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sucrase-isomaltase, intestinal	IC50	=	310.0	nM	6.51	Inhibition of rat intestinal isomaltase using isomaltase as substrate	23106358
Sucrase-isomaltase, intestinal	IC50	=	2400.0	nM	5.62	Inhibition of rat intestinal sucrase using sucrose as substrate	23106358
Lysosomal acid glucosylceramidase	IC50	=	4200.0	nM	5.38	Inhibition of human recombinant beta-glucocerebrosidase preincubated for 10 mins...	20231099
Acidic alpha-glucosidase	IC50	=	4700.0	nM	5.33	Inhibition of rat intestinal maltase using moltose as substrate	23106358

PubMed	DOI	Target Context	# Activities
23106358	10.1021/jm301304e	Sucrase-isomaltase, intestinal	2
20231099	10.1016/j.bmc.2010.02.027	Lysosomal acid glucosylceramidase	1
23106358	10.1021/jm301304e	Acidic alpha-glucosidase	1

Data from ChEMBL 36 via Core Engine