Compound Detail

CHEMBL4172842

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CCOc1ccc(Cc2cc([C@@H]3O[C@H](/C=N/NCCO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4172842
Phase	Preclinical
Structure Type	MOL
InChI Key	YOMFQWVLVZXVCX-VFCFNIRKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

464.9

MW (Da)

1.42

ALogP

HBA

HBD

123.8

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 7.06

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium/glucose cotransporter 2 CHEMBL3884	EC50	7.06	7.06	88.0	1
Sodium/glucose cotransporter 1 CHEMBL4979	EC50	4.9	4.9	12572.0	1

Parameter	Value	Units	Species
AUC	1026.0	ng.hr.mL-1	Rattus norvegicus
AUC	73.0	ng.hr.mL-1	Rattus norvegicus
CL	17.6	mL.min-1.kg-1	Rattus norvegicus
Cmax	74.2	nM	Rattus norvegicus
F	7.1	%	Rattus norvegicus
T1/2	0.7	hr	Rattus norvegicus
T1/2	1.2	hr	Rattus norvegicus
Tmax	0.7	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium/glucose cotransporter 2	EC50	=	88.0	nM	7.06	Inhibition of human SGLT2 expressed in CHO cells assessed as reduction in [14C]A...	29216560
Sodium/glucose cotransporter 1	EC50	=	12572.0	nM	4.9	Inhibition of human SGLT1 expressed in CHO cells assessed as reduction in [14C]A...	29216560

PubMed	DOI	Target Context	# Activities
29216560	10.1016/j.ejmech.2017.11.019	Rattus norvegicus	9
29216560	10.1016/j.ejmech.2017.11.019	Sodium/glucose cotransporter 1	1
29216560	10.1016/j.ejmech.2017.11.019	Sodium/glucose cotransporter 2	1
29216560	10.1016/j.ejmech.2017.11.019	Unchecked	1

Data from ChEMBL 36 via Core Engine