Compound Detail

CHEMBL3980365

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CN(C)c1cccc2c(S(=O)(=O)NCCOCCn3cc(CCCCN4C[C@H](O)[C@@H](O)[C@H](O)[C@H]4CO)nn3)cccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3980365
Phase	Preclinical
Structure Type	MOL
InChI Key	QPERFYXOEFALIZ-QEFMBMMRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

606.8

MW (Da)

-0.43

ALogP

HBA

HBD

173.5

PSA (Å²)

0.14

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.04

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.04	5.6967	91.0	3
Sucrase-isomaltase, intestinal CHEMBL3114	IC50	5.72	5.53	1900.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	91.0	nM	7.04	Inhibition of rice alpha-glucosidase assessed as reduction in production of D-gl...	27956035
Unchecked	IC50	=	910.0	nM	6.04	Inhibition of rat small intestinal brush border membrane maltase assessed as red...	27956035
Sucrase-isomaltase, intestinal	IC50	=	1900.0	nM	5.72	Inhibition of rat small intestinal brush border membrane sucrase assessed as red...	27956035
Sucrase-isomaltase, intestinal	IC50	=	4600.0	nM	5.34	Inhibition of rat small intestinal brush border membrane isomaltase assessed as ...	27956035
Unchecked	IC50	=	97800.0	nM	4.01	Inhibition of almond beta-glucosidase assessed as reduction in production of D-g...	27956035

PubMed	DOI	Target Context	# Activities
27956035	10.1016/j.bmc.2016.11.053	Unchecked	4
27956035	10.1016/j.bmc.2016.11.053	Sucrase-isomaltase, intestinal	2

Data from ChEMBL 36 via Core Engine