Compound Detail

CHEMBL4089739

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COC(=O)Cn1[se]c2ccccc2c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4089739
Phase	Preclinical
Structure Type	MOL
InChI Key	HUMCGFSHMHWGPJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

270.1

MW (Da)

First in Class Prodrug

Molecular Formula	C10H9NO3Se
MW	270.15

IC50 4 meas. best 5.67

Ki 1 meas. best 7.08

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	7.08	7.08	84.0	1
Urease subunit alpha/Urease subunit beta CHEMBL3885651	IC50	5.67	5.39	2120.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	84.0	nM	7.08	Steady state inhibition of Sporosarcina pasteurii CCM 2056 urease using urea as ...	27524377
Urease subunit alpha/Urease subunit beta	IC50	=	2120.0	nM	5.67	Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as ...	27524377
Urease subunit alpha/Urease subunit beta	IC50	=	3470.0	nM	5.46	Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as ...	27524377
Urease subunit alpha/Urease subunit beta	IC50	=	9200.0	nM	5.04	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	4
27524377	10.1021/acs.jmedchem.6b00986	Unchecked	3
28043795	10.1016/j.bmcl.2016.12.021	Unchecked	2
28043795	10.1016/j.bmcl.2016.12.021	Trypanosoma brucei	2

Data from ChEMBL 36 via Core Engine