Compound Detail

CHEMBL3290759

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Nc1ccc([As]=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3290759
Phase	Preclinical
Structure Type	MOL
InChI Key	VOLTUGUMYQENMY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

183.0

MW (Da)

First in Class Prodrug

Molecular Formula	C6H6AsNO
MW	183.04

IC50 5 meas. best 5.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Thioredoxin reductase CHEMBL2096978	IC50	5.4	5.4	4000.0	1
HL-60 CHEMBL383	IC50	5.29	5.25	5100.0	2
HeLa CHEMBL399	IC50	5.11	5.11	7700.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.03	5.03	9400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Thioredoxin reductase	IC50	=	4000.0	nM	5.4	Inhibition of human TrxR activity in human HeLa cell lysate after 12 hrs by insu...	24867309
HL-60	IC50	=	5100.0	nM	5.29	Cytotoxicity against human HL60 cells assessed as inhibition of proliferation af...	24867309
HL-60	IC50	=	6200.0	nM	5.21	Cytotoxicity against human HL60 cells assessed as inhibition of proliferation af...	24867309
HeLa	IC50	=	7700.0	nM	5.11	Cytotoxicity against human HeLa cells assessed as inhibition of proliferation af...	24867309
NON-PROTEIN TARGET	IC50	=	9400.0	nM	5.03	Cytotoxicity against human SSMC-7721 cells assessed as inhibition of proliferati...	24867309

PubMed	DOI	Target Context	# Activities
24867309	10.1021/jm500221p	HL-60	2
24867309	10.1021/jm500221p	HeLa	1
24867309	10.1021/jm500221p	NON-PROTEIN TARGET	1
24867309	10.1021/jm500221p	HepG2	1
24867309	10.1021/jm500221p	Thioredoxin reductase	1

Data from ChEMBL 36 via Core Engine