Compound Detail

CHEMBL386508

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Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL386508
Phase	Preclinical
Structure Type	MOL
InChI Key	SOOVFVIRAAYMHK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

323.4

MW (Da)

5.18

ALogP

HBA

HBD

55.4

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.8

EC50 2 meas. best 5.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RNA-directed RNA polymerase CHEMBL4296320	IC50	7.8	7.8	16.0	1
Unchecked CHEMBL612545	IC50	7.8	7.8	16.0	1
Hepatitis C virus CHEMBL379	EC50	5.38	5.38	4200.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RNA-directed RNA polymerase	IC50	=	16.0	nM	7.8	Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA	16908138
Unchecked	IC50	=	16.0	nM	7.8	Inhibition of histidine-tagged HCV NS5Bdelta21 by scintillation proximity assay	20074949
Hepatitis C virus	EC50	=	4200.0	nM	5.38	Inhibition of HCV RNA replication by replicon assay	16908138
Hepatitis C virus	EC50	=	4200.0	nM	5.38	Antiviral activity against Hepatitis C virus subtype 1b infected in human Huh7 c...	20074949

PubMed	DOI	Target Context	# Activities
16908138	10.1016/j.bmcl.2006.07.074	Genome polyprotein	1
16908138	10.1016/j.bmcl.2006.07.074	DNA-directed RNA polymerase II subunit RPB1	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
20074949	10.1016/j.bmcl.2009.12.101	Unchecked	1
20074949	10.1016/j.bmcl.2009.12.101	Hepatitis C virus	1
20074949	10.1016/j.bmcl.2009.12.101	No relevant target	1

Data from ChEMBL 36 via Core Engine