Compound Detail

CHEMBL174683

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O=C(O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL174683
Phase	Preclinical
Structure Type	MOL
InChI Key	VJHUUUYKIKSXKH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

321.4

MW (Da)

4.30

ALogP

HBA

HBD

68.0

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RNA-directed RNA polymerase CHEMBL4296320	IC50	5.57	5.47	2700.0	2
Genome polyprotein CHEMBL4620	IC50	5.37	5.37	4300.0	1
Unchecked CHEMBL612545	IC50	5.37	5.37	4300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RNA-directed RNA polymerase	IC50	=	2700.0	nM	5.57	Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA	16908138
RNA-directed RNA polymerase	IC50	=	4300.0	nM	5.37	Inhibitory activity against NS5B polymerase of hepatitis C virus	14684311
Genome polyprotein	IC50	=	4300.0	nM	5.37	Inhibitory concentration against hepatitis C virus polymerase	15633995
Unchecked	IC50	=	4300.0	nM	5.37	Inhibition of HCV NS5B polymerase	22513121

PubMed	DOI	Target Context	# Activities
14684311	10.1016/j.bmcl.2003.10.023	RNA-directed RNA polymerase	1
14684311	10.1016/j.bmcl.2003.10.023	Genome polyprotein	1
14684311	10.1016/j.bmcl.2003.10.023	DNA-directed RNA polymerase subunit beta	1
14684311	10.1016/j.bmcl.2003.10.023	Hepatitis C virus	1
15633995	10.1021/jm0400101	Genome polyprotein	1
16908138	10.1016/j.bmcl.2006.07.074	RNA-directed RNA polymerase	1
16908138	10.1016/j.bmcl.2006.07.074	Hepatitis C virus	1
22513121	10.1016/j.ejmech.2012.03.038	Unchecked	1

Data from ChEMBL 36 via Core Engine