Compound Detail

CHEMBL109569

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CCOC(=O)c1cc(=O)c(O)c(C(=O)O)o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL109569
Phase	Preclinical
Structure Type	MOL
InChI Key	MEUFIPDIZUSGJE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

228.2

MW (Da)

0.22

ALogP

HBA

HBD

114.0

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.19

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RNA-directed RNA polymerase CHEMBL4296320	IC50	6.19	5.785	650.0	4
Hepatitis C virus NS5B RNA-dependent RNA polymerase CHEMBL5375	IC50	5.65	5.65	2250.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RNA-directed RNA polymerase	IC50	=	650.0	nM	6.19	Inhibitory potency of compound in presence of Mn2+ ion against NS5B HCV polymera...	15149686
RNA-directed RNA polymerase	IC50	=	2250.0	nM	5.65	Inhibitory potency against NS5B HCV polymerase	15149686
RNA-directed RNA polymerase	IC50	=	2250.0	nM	5.65	Inhibitory potency of compound in presence of Mg2+ ion against NS5B HCV polymera...	15149686
RNA-directed RNA polymerase	IC50	=	2250.0	nM	5.65	Inhibitory concentration required to inhibit HCV RNA dependent RNA polymerase No...	15481971
Hepatitis C virus NS5B RNA-dependent RNA polymerase	IC50	=	2250.0	nM	5.65	Inhibition of Hepatitis C virus NS5B polymerase	37827528

PubMed	DOI	Target Context	# Activities
15149686	10.1016/j.bmcl.2004.03.087	RNA-directed RNA polymerase	4
15149686	10.1016/j.bmcl.2004.03.087	Hepatitis C virus	1
15481971	10.1021/jm0494669	RNA-directed RNA polymerase	1
37827528	10.1021/acs.jmedchem.3c01280	Hepatitis C virus NS5B RNA-dependent RNA polymerase	1

Data from ChEMBL 36 via Core Engine