Compound Detail

CHEMBL259335

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CC(C)CCn1nc(CC2CCC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL259335
Phase	Preclinical
Structure Type	MOL
InChI Key	VBTPUPGPJRHZIS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

523.6

MW (Da)

2.27

ALogP

HBA

HBD

159.8

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.89

EC50 1 meas. best 6.68

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatitis C virus CHEMBL379	IC50	6.89	6.89	130.0	1
Hepatitis C virus CHEMBL379	EC50	6.68	6.68	210.0	1
Unchecked CHEMBL612545	IC50	6.4	6.4	400.0	1

Parameter	Value	Units	Species
T1/2	0.4167	hr	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatitis C virus	IC50	=	130.0	nM	6.89	Inhibition of HCV 1b NS5B RNA polymerase	18457949
Hepatitis C virus	EC50	=	210.0	nM	6.68	Antiviral activity against HCV 1b in human Huh7/C24 cells after 72 hrs by replic...	18457949
Unchecked	IC50	=	400.0	nM	6.4	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