Compound Detail

CHEMBL1171651

Enter ChEMBL ID:

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

CS(=O)(=O)Nc1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1171651
Phase	Preclinical
Structure Type	MOL
InChI Key	NQRXXUCTMJTZKH-GFEQUFNTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

425.5

MW (Da)

-0.10

ALogP

HBA

HBD

145.6

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 1 meas. best 7.01

Kd 1 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Kd	8.7	8.7	2.0	1
Unchecked CHEMBL612545	EC50	7.01	7.01	97.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Kd	=	2.0	nM	8.7	Binding affinity to biotinylated Escherichia coli FimH-lectin domain after 30 mi...	22449031
Unchecked	EC50	=	97.0	nM	7.01	Displacement of 5(6)-FAM-mannoside from Escherichia coli FimH by fluorescence po...	20507142

PubMed	DOI	Target Context	# Activities
20507142	10.1021/jm100438s	Unchecked	2
22449031	10.1021/jm300165m	Unchecked	2

Data from ChEMBL 36 via Core Engine