Compound Detail

CHEMBL3360462

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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)Cc2ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc2O3)[nH]1)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3360462
Phase	Preclinical
Structure Type	MOL
InChI Key	NWCORFSCWJIXJY-YVYLOCOQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

766.9

MW (Da)

6.25

ALogP

HBA

HBD

183.9

PSA (Å²)

0.13

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 10.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatitis C virus CHEMBL379	EC50	10.89	10.45	0.0	2

Parameter	Value	Units	Species
AUC	1055.0	ng.hr.mL-1	Rattus norvegicus
AUC	2091.0	ng.hr.mL-1	Rattus norvegicus
CL	15.83	mL.min-1.kg-1	Rattus norvegicus
Cmax	495.5	nM	Rattus norvegicus
F	41.1	%	Rattus norvegicus
T1/2	1.33	hr	Rattus norvegicus
Tmax	3.33	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatitis C virus	EC50	=	0.013	nM	10.89	Antiviral activity against HCV genotype 1b infected in human HuH7 cells by lucif...	25453811
Hepatitis C virus	EC50	=	0.098	nM	10.01	Antiviral activity against HCV genotype 1a infected in human HuH7 cells by lucif...	25453811

PubMed	DOI	Target Context	# Activities
25453811	10.1016/j.bmcl.2014.10.056	Rattus norvegicus	8
25453811	10.1016/j.bmcl.2014.10.056	Hepatitis C virus	2
25453811	10.1016/j.bmcl.2014.10.056	Liver	1
25453811	10.1016/j.bmcl.2014.10.056	Plasma	1

Data from ChEMBL 36 via Core Engine