Compound Detail

CHEMBL492771

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O=C(O)/C(O)=C/C(=O)c1cccc(OCc2ccc(Cl)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL492771
Phase	Preclinical
Structure Type	MOL
InChI Key	FCXRCRRPFVTAPG-SXGWCWSVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

332.7

MW (Da)

3.63

ALogP

HBA

HBD

83.8

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.02

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.02	6.02	960.0	1
Replicase polyprotein 1ab CHEMBL5118	IC50	4.87	4.74	13600.0	2
Hepatitis C virus CHEMBL379	IC50	4.55	4.55	28000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	960.0	nM	6.02	Inhibition of HCV RNA dependent RNA polymerase	19233643
Replicase polyprotein 1ab	IC50	=	13600.0	nM	4.87	Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay	19233643
Replicase polyprotein 1ab	IC50	=	24400.0	nM	4.61	Inhibition of ATPase activity of SCV helicase assessed as phosphate release by c...	19233643
Hepatitis C virus	IC50	=	28000.0	nM	4.55	Inhibition of recombinant HCV 1b NS5B deltac21 RNA polymerase by scintillator co...	18644717

PubMed	DOI	Target Context	# Activities
19233643	10.1016/j.bmcl.2009.02.010	Replicase polyprotein 1ab	2
18644717	10.1016/j.bmcl.2008.07.008	Hepatitis C virus	2
19233643	10.1016/j.bmcl.2009.02.010	Unchecked	1
18644717	10.1016/j.bmcl.2008.07.008	ADMET	1

Data from ChEMBL 36 via Core Engine