Compound Detail

CHEMBL4471428

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COC(=O)CNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NCC(=O)OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4471428
Phase	Preclinical
Structure Type	MOL
InChI Key	HFPGKFDSGPSMAQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

542.3

MW (Da)

First in Class Prodrug

Molecular Formula	C20H20N2O6Se2
MW	542.31

IC50 2 meas. best 4.08

Ki 2 meas. best 8.18

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	8.18	8.18	6.7	1
Urease subunit alpha/Urease subunit beta CHEMBL3885651	Ki	6.04	6.04	915.0	1
Urease subunit alpha/Urease subunit beta CHEMBL3885651	IC50	4.08	4.075	83500.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	6.67	nM	8.18	Steady state inhibition of Sporosarcina pasteurii CCM 2056 urease using urea as ...	27524377
Urease subunit alpha/Urease subunit beta	Ki	=	915.0	nM	6.04	Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia co...	27524377
Urease subunit alpha/Urease subunit beta	IC50	=	83500.0	nM	4.08	Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as ...	27524377
Urease subunit alpha/Urease subunit beta	IC50	=	85000.0	nM	4.07	Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia co...	27524377

PubMed	DOI	Target Context	# Activities
27524377	10.1021/acs.jmedchem.6b00986	Urease subunit alpha/Urease subunit beta	6
27524377	10.1021/acs.jmedchem.6b00986	Unchecked	3

Data from ChEMBL 36 via Core Engine