Compound Detail

CHEMBL382383

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O=C(O)c1nc(-c2nccs2)nc(O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL382383
Phase	Preclinical
Structure Type	MOL
InChI Key	NEMMZANCTYVVNM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

239.2

MW (Da)

0.71

ALogP

HBA

HBD

116.4

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.68

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RNA-directed RNA polymerase CHEMBL4296320	IC50	6.68	5.856	210.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RNA-directed RNA polymerase	IC50	=	210.0	nM	6.68	Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving man...	16509585
RNA-directed RNA polymerase	IC50	=	760.0	nM	6.12	Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase	16509585
RNA-directed RNA polymerase	IC50	=	760.0	nM	6.12	Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving mag...	16509585
RNA-directed RNA polymerase	IC50	=	2770.0	nM	5.56	Inhibitory activity against HCV 1b BK NS5B deltaC55-R158M mutant RNA polymerase	16509585
RNA-directed RNA polymerase	IC50	=	16000.0	nM	4.8	Inhibitory activity against HCV 1b BK NS5B deltaC55-R158K mutant RNA polymerase	16509585

PubMed	DOI	Target Context	# Activities
16509585	10.1021/jm051064t	RNA-directed RNA polymerase	6
16509585	10.1021/jm051064t	No relevant target	2

Data from ChEMBL 36 via Core Engine