Compound Detail

CHEMBL3814747

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3814747
Phase	Preclinical
Structure Type	MOL
InChI Key	LFFCWNLZHCJIOX-GTIRMNPZSA-M
Parent Compound	CHEMBL3815241
Active Moiety	CHEMBL3815241

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

269.3

MW (Da)

-2.93

ALogP

HBA

HBD

110.4

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.41

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sucrase-isomaltase, intestinal CHEMBL3114	IC50	6.41	6.375	390.0	2
Maltase-glucoamylase CHEMBL2074	IC50	5.7	5.7	2000.0	1
Unchecked CHEMBL612545	IC50	5.28	5.28	5300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sucrase-isomaltase, intestinal	IC50	=	390.0	nM	6.41	Inhibition of rat small intestinal isomaltase using isomaltose as substrate incu...	27325449
Sucrase-isomaltase, intestinal	IC50	=	460.0	nM	6.34	Inhibition of rat small intestinal sucrase using sucrose as substrate incubated ...	27325449
Maltase-glucoamylase	IC50	=	2000.0	nM	5.7	Inhibition of human small intestine microsomal maltase using maltose as substrat...	27325449
Unchecked	IC50	=	5300.0	nM	5.28	Inhibition of rat small intestinal maltase using maltose as substrate incubated ...	27325449

PubMed	DOI	Target Context	# Activities
27325449	10.1016/j.bmc.2016.06.013	Sucrase-isomaltase, intestinal	2
27325449	10.1016/j.bmc.2016.06.013	Unchecked	1
27325449	10.1016/j.bmc.2016.06.013	Maltase-glucoamylase	1

Data from ChEMBL 36 via Core Engine