Compound Detail

CHEMBL4783560

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OC[C@@H]1N[C@@H](c2ccc(O)cc2)[C@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4783560
Phase	Preclinical
Structure Type	MOL
InChI Key	BRPXIQPSCKPBLH-NAKRPEOUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

225.2

MW (Da)

-0.88

ALogP

HBA

HBD

93.0

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 5.03

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Maltase-glucoamylase CHEMBL2074	IC50	5.03	5.03	9300.0	1
Unchecked CHEMBL612545	IC50	4.6	4.6	25210.0	1
Alpha-mannosidase CHEMBL3392945	IC50	4.55	4.55	28000.0	1
Tissue alpha-L-fucosidase CHEMBL3545	IC50	4.39	4.39	41000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Maltase-glucoamylase	IC50	=	9300.0	nM	5.03	Inhibition of alpha-glucosidase (unknown origin) using sucrose as substrate incu...	31927314
Unchecked	IC50	=	25210.0	nM	4.6	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate...	31927314
Alpha-mannosidase	IC50	=	28000.0	nM	4.55	Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for ...	31927314
Tissue alpha-L-fucosidase	IC50	=	41000.0	nM	4.39	Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated f...	31927314

PubMed	DOI	Target Context	# Activities
31927314	10.1016/j.ejmech.2020.112034	Maltase-glucoamylase	1
31927314	10.1016/j.ejmech.2020.112034	Unchecked	1
31927314	10.1016/j.ejmech.2020.112034	Tissue alpha-L-fucosidase	1
31927314	10.1016/j.ejmech.2020.112034	Alpha-mannosidase	1

Data from ChEMBL 36 via Core Engine