Compound Detail

CHEMBL4455229

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OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2C[C@@H](O)CN12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4455229
Phase	Preclinical
Structure Type	MOL
InChI Key	CFGFJVAAZQVWOK-FMDGEEDCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

189.2

MW (Da)

-2.48

ALogP

HBA

HBD

84.2

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 5.35

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	5.35	4.5725	4500.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	4500.0	nM	5.35	Inhibition of Aspergillus niger amyloglucosidase	30714734
Unchecked	IC50	=	40000.0	nM	4.4	Inhibition of Aspergillus niger amyloglucosidase using p-nitrophenyl glycoside a...	36332547
Unchecked	IC50	=	39994.47	nM	4.4	Inhibition of Aspergillus niger amyloglucosidase using p-nitrophenyl glycoside a...	36332547
Unchecked	IC50	=	72000.0	nM	4.14	Inhibition of rat intestinal maltase using maltose as substrate at pH 6.8 by col...	36332547

PubMed	DOI	Target Context	# Activities
36332547	10.1016/j.ejmech.2022.114852	Unchecked	12
30714734	10.1021/acs.jnatprod.8b00879	Unchecked	1
36332547	10.1016/j.ejmech.2022.114852	Alpha-glucosidase	1
36332547	10.1016/j.ejmech.2022.114852	Alpha-mannosidase	1
36332547	10.1016/j.ejmech.2022.114852	Alpha-galactosidase	1
36332547	10.1016/j.ejmech.2022.114852	Tissue alpha-L-fucosidase	1

Data from ChEMBL 36 via Core Engine