Compound Detail

CHEMBL1258643

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OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1258643
Phase	Preclinical
Structure Type	MOL
InChI Key	ATEIRTWZLSRKMU-MJDOQFAISA-M
Parent Compound	CHEMBL1618203
Active Moiety	CHEMBL1618203

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

315.4

MW (Da)

-4.86

ALogP

HBA

HBD

161.8

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.0

Ki 1 meas. best 7.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Maltase-glucoamylase CHEMBL2074	Ki	7.82	7.82	15.0	1
Sucrase-isomaltase, intestinal CHEMBL3114	IC50	6.0	5.77	1000.0	2
Acidic alpha-glucosidase CHEMBL3513	IC50	5.37	5.37	4300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Maltase-glucoamylase	Ki	=	15.0	nM	7.82	Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after ...	20801033
Sucrase-isomaltase, intestinal	IC50	=	1000.0	nM	6.0	Inhibition of rat intestinal isomaltase	21345683
Sucrase-isomaltase, intestinal	IC50	=	2900.0	nM	5.54	Inhibition of rat intestinal sucrase	21345683
Acidic alpha-glucosidase	IC50	=	4300.0	nM	5.37	Inhibition of rat intestinal maltase	21345683

PubMed	DOI	Target Context	# Activities
21345683	10.1016/j.bmc.2011.01.052	Sucrase-isomaltase, intestinal	2
20801033	10.1016/j.bmcl.2010.08.020	Maltase-glucoamylase	1
21345683	10.1016/j.bmc.2011.01.052	Acidic alpha-glucosidase	1

Data from ChEMBL 36 via Core Engine