Compound Detail

CHEMBL254164

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CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(C4CCCS4(=O)=O)ccc3N2)c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL254164
Phase	Preclinical
Structure Type	MOL
InChI Key	DYCUGDBSTQAMOO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

562.7

MW (Da)

3.53

ALogP

HBA

HBD

147.8

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.82

EC50 1 meas. best 6.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatitis C virus CHEMBL379	EC50	6.96	6.96	110.0	1
Hepatitis C virus CHEMBL379	IC50	6.82	6.82	150.0	1
Unchecked CHEMBL612545	IC50	6.54	6.54	290.0	1

Parameter	Value	Units	Species
T1/2	0.3667	hr	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatitis C virus	EC50	=	110.0	nM	6.96	Antiviral activity against HCV 1b in human Huh7/C24 cells after 72 hrs by replic...	18457949
Hepatitis C virus	IC50	=	150.0	nM	6.82	Inhibition of HCV 1b NS5B RNA polymerase	18457949
Unchecked	IC50	=	290.0	nM	6.54	Inhibition of HCV 1a NS5B RNA polymerase	18457949

PubMed	DOI	Target Context	# Activities
18457949	10.1016/j.bmcl.2008.02.072	Hepatitis C virus	2
18457949	10.1016/j.bmcl.2008.02.072	ADMET	1
18457949	10.1016/j.bmcl.2008.02.072	Liver microsomes	1
18457949	10.1016/j.bmcl.2008.02.072	Unchecked	1

Data from ChEMBL 36 via Core Engine