Compound Detail

CHEMBL1321154

ROXARSONE

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O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1321154
Name	ROXARSONE
Phase	Preclinical
Structure Type	MOL
InChI Key	XMVJITFPVVRMHC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

263.0

MW (Da)

Natural Product First in Class Prodrug

Molecular Formula	C6H6AsNO6
MW	263.04

IC50 1 meas. best 4.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
14 kDa phosphohistidine phosphatase CHEMBL5169200	IC50	4.1	4.1	80000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
14 kDa phosphohistidine phosphatase	IC50	=	80000.0	nM	4.1	Inhibition of PHPT1 (unknown origin) using DiFMUP as fluorogenic substrate incub...	35859860

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	432
35859860	10.1021/acsmedchemlett.2c00053	14 kDa phosphohistidine phosphatase	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1
22961681	10.1124/dmd.112.047068	Bile salt export pump	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
-	10.1101/2020.04.21.054387	SARS-CoV-2	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
35859860	10.1021/acsmedchemlett.2c00053	Phospholysine phosphohistidine inorganic pyrophosphate phosphatase	1
38318365	10.1016/j.isci.2024.108907	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	1

Data from ChEMBL 36 via Core Engine