Compound Detail

CHEMBL3814496

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O=[N+]([O-])c1ccccc1CO[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	CHEMBL3814496
Phase	Preclinical
Structure Type	MOL
InChI Key	MBPPUFZUZPKYFX-QZZLQVHZSA-M
Parent Compound	CHEMBL3815168
Active Moiety	CHEMBL3815168

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

390.4

MW (Da)

-1.45

ALogP

HBA

HBD

153.5

PSA (Å²)

0.19

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sucrase-isomaltase, intestinal CHEMBL3114	IC50	7.38	7.03	42.0	2
Unchecked CHEMBL612545	IC50	6.89	6.89	130.0	1
Maltase-glucoamylase CHEMBL2074	IC50	6.82	6.82	150.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sucrase-isomaltase, intestinal	IC50	=	42.0	nM	7.38	Inhibition of rat small intestinal sucrase using sucrose as substrate incubated ...	27325449
Unchecked	IC50	=	130.0	nM	6.89	Inhibition of rat small intestinal maltase using maltose as substrate incubated ...	27325449
Maltase-glucoamylase	IC50	=	150.0	nM	6.82	Inhibition of human small intestine microsomal maltase using maltose as substrat...	27325449
Sucrase-isomaltase, intestinal	IC50	=	210.0	nM	6.68	Inhibition of rat small intestinal isomaltase using isomaltose as substrate incu...	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