Compound Detail

CHEMBL256323

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c(-c3cccs3)nn(Cc3ccc(F)c(Cl)c3)c1=O)N2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL256323
Phase	Preclinical
Structure Type	MOL
InChI Key	PTNQQJNGMZZCLE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

610.1

MW (Da)

3.45

ALogP

HBA

HBD

159.8

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.92

EC50 1 meas. best 6.58

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatitis C virus CHEMBL379	IC50	7.92	7.92	12.0	1
Unchecked CHEMBL612545	IC50	6.82	6.82	150.0	1
Hepatitis C virus CHEMBL379	EC50	6.58	6.58	260.0	1

Parameter	Value	Units	Species
T1/2	1.0	hr	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatitis C virus	IC50	=	12.0	nM	7.92	Inhibition of HCV 1b NS5B RNA polymerase	18457949
Unchecked	IC50	=	150.0	nM	6.82	Inhibition of HCV 1a NS5B RNA polymerase	18457949
Hepatitis C virus	EC50	=	260.0	nM	6.58	Antiviral activity against HCV 1b in human Huh7/C24 cells after 72 hrs by replic...	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