Compound Detail

CHEMBL5573135

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

CCCCCCCCCCCCCCCCCCNC(=O)CN(Cc1cn(CCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)C(=O)CN(Cc1cn(CCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)C(=O)CN(Cc1cn(CCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)C(=O)CN(Cc1cn(CCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1)C(C)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5573135
Phase	Preclinical
Structure Type	MOL
InChI Key	SSQMEMOKKCQHED-ZNOTUKNYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1845.3

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C88H157N21O21
MW	1845.35

Activity Summary

Ki 3 meas. best 7.57

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	7.57	6.6367	27.0	3

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	27.0	nM	7.57	Inhibition of rice Alpha-glucosidase incubated for 10 mins by Lineweaver-Burk pl...	38504504
Unchecked	Ki	=	170.0	nM	6.77	Inhibition of Aspergillus niger Alpha-glucosidase incubated for 10 mins by Linew...	38504504
Unchecked	Ki	=	2700.0	nM	5.57	Inhibition of C57BL/6J mouse Alpha-glucosidase incubated for 10 mins by Lineweav...	38504504

Literature References

PubMed	DOI	Target Context	# Activities
38504504	10.1021/acs.jmedchem.4c00304	Mus musculus	29
38504504	10.1021/acs.jmedchem.4c00304	ADMET	13
38504504	10.1021/acs.jmedchem.4c00304	Unchecked	12
38504504	10.1021/acs.jmedchem.4c00304	No relevant target	12
38504504	10.1021/acs.jmedchem.4c00304	Alpha-glucosidase	1
38504504	10.1021/acs.jmedchem.4c00304	GES1	1

Data from ChEMBL 36 via Core Engine