Compound Detail

CHEMBL4793095

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

O=C(CCCCC(=O)NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4793095
Phase	Preclinical
Structure Type	MOL
InChI Key	MWAPRABGKDDJFP-KNCVKOLQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2917.2

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C134H178N44O32
MW	2917.17

Activity Summary

IC50 2 meas. best 5.89

Ki 2 meas. best 5.92

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lysosomal acid glucosylceramidase CHEMBL2179	Ki	5.92	5.92	1200.0	1
Lysosomal acid glucosylceramidase CHEMBL2179	IC50	5.89	5.89	1300.0	1
Alpha-galactosidase A CHEMBL2524	Ki	5.82	5.82	1500.0	1
Alpha-galactosidase A CHEMBL2524	IC50	5.47	5.47	3400.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lysosomal acid glucosylceramidase	Ki	=	1200.0	nM	5.92	Competitive inhibition of human recombinant lysosomal GCase using 4-methylumbell...	32146376
Lysosomal acid glucosylceramidase	IC50	=	1300.0	nM	5.89	Inhibition of human recombinant lysosomal GCase using 4-methylumbelliferyl-beta-...	32146376
Alpha-galactosidase A	Ki	=	1500.0	nM	5.82	Competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylu...	32146376
Alpha-galactosidase A	IC50	=	3400.0	nM	5.47	Inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-...	32146376

Literature References

PubMed	DOI	Target Context	# Activities
32146376	10.1016/j.ejmech.2020.112173	Alpha-galactosidase A	3
32146376	10.1016/j.ejmech.2020.112173	Lysosomal acid glucosylceramidase	2

Data from ChEMBL 36 via Core Engine