Compound Detail

CHEMBL4648683

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CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nc(C)n(Cc5ccc(F)cn5)c(=O)c4c3)cc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4648683
Phase	Preclinical
Structure Type	MOL
InChI Key	RDUBBDFCMXNFDY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

643.7

MW (Da)

5.26

ALogP

HBA

HBD

127.4

PSA (Å²)

0.25

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 8 meas. best 8.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RNA-directed RNA polymerase CHEMBL4296320	EC50	8.89	8.1863	1.3	8

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RNA-directed RNA polymerase	EC50	=	1.3	nM	8.89	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe ...	32061500
RNA-directed RNA polymerase	EC50	=	1.6	nM	8.8	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe ...	32061500
RNA-directed RNA polymerase	EC50	=	1.7	nM	8.77	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 3a by Taqman probe ...	32061500
RNA-directed RNA polymerase	EC50	=	2.6	nM	8.59	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1b by Taqman probe ...	32061500
RNA-directed RNA polymerase	EC50	=	4.2	nM	8.38	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe ...	32061500
RNA-directed RNA polymerase	EC50	=	10.6	nM	7.97	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2a by Taqman probe ...	32061500
RNA-directed RNA polymerase	EC50	=	35.8	nM	7.45	Non-nucleoside inhibition of NS5B polymerase C316Y mutant in HCV genotype 1a by ...	32061500
RNA-directed RNA polymerase	EC50	=	227.9	nM	6.64	Non-nucleoside inhibition of NS5B polymerase S365A mutant in HCV genotype 1a by ...	32061500

PubMed	DOI	Target Context	# Activities
32061500	10.1016/j.bmcl.2020.127004	RNA-directed RNA polymerase	8

Data from ChEMBL 36 via Core Engine