Compound Detail

CHEMBL3655715

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O=C(O)c1ccc(-n2[se]c3ccccc3c2=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3655715
Phase	Preclinical
Structure Type	MOL
InChI Key	FOEPTYDLLXMPLJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

318.2

MW (Da)

First in Class Prodrug

Molecular Formula	C14H9NO3Se
MW	318.19

IC50 3 meas. best 7.35

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.35	7.35	44.5	1
Replicase polyprotein 1ab CHEMBL4523582	IC50	6.89	6.89	130.0	1
Thioredoxin reductase CHEMBL3638339	IC50	5.82	5.82	1500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	44.5	nM	7.35	Inhibition of wild type Candida albicans Fructose-1,6-Bisphosphate Aldolase tran...	35099959
Replicase polyprotein 1ab	IC50	=	130.0	nM	6.89	Inhibition of SARS CoV-2 Main protease using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 pepti...	34798775
Thioredoxin reductase	IC50	=	1500.0	nM	5.82	Inhibition Assay: All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2...	-

PubMed	DOI	Target Context	# Activities
35099959	10.1021/acs.jmedchem.1c02102	Candida albicans	4
29894943	10.1016/j.ejmech.2018.06.007	Escherichia coli	3
28043795	10.1016/j.bmcl.2016.12.021	Unchecked	2
28043795	10.1016/j.bmcl.2016.12.021	Trypanosoma brucei	2
29894943	10.1016/j.ejmech.2018.06.007	Unchecked	1
35099959	10.1021/acs.jmedchem.1c02102	Unchecked	1
34798775	10.1021/acs.jmedchem.1c00409	Replicase polyprotein 1ab	1

Data from ChEMBL 36 via Core Engine