Compound Detail

CHEMBL4857181

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CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4857181
Phase	Preclinical
Structure Type	MOL
InChI Key	ZCAWNKJDQGBCBS-NPPHLGRCSA-N
Parent Compound	CHEMBL5028138
Active Moiety	CHEMBL5028138

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

205.2

MW (Da)

-1.80

ALogP

HBA

HBD

93.0

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.06

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.06	7.04	88.0	2
Sucrase-isomaltase, intestinal CHEMBL3114	IC50	6.7	6.235	200.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	88.0	nM	7.06	Inhibition of rice alpha-glucosidase using p-nitrophenyl glycoside as substrate ...	34340042
Unchecked	IC50	=	96.0	nM	7.02	Inhibition of rat intestinal maltase using maltose as substrate assessed as rele...	34340042
Sucrase-isomaltase, intestinal	IC50	=	200.0	nM	6.7	Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate ...	34340042
Sucrase-isomaltase, intestinal	IC50	=	1700.0	nM	5.77	Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substra...	34340042

PubMed	DOI	Target Context	# Activities
34340042	10.1016/j.ejmech.2021.113716	Unchecked	17
34340042	10.1016/j.ejmech.2021.113716	Sucrase-isomaltase, intestinal	2
34340042	10.1016/j.ejmech.2021.113716	Alpha-galactosidase	2
34340042	10.1016/j.ejmech.2021.113716	Tissue alpha-L-fucosidase	2
34340042	10.1016/j.ejmech.2021.113716	Beta-glucuronidase	2
34340042	10.1016/j.ejmech.2021.113716	Alpha-mannosidase	1

Data from ChEMBL 36 via Core Engine