Compound Detail

CHEMBL4210254

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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(F)c([C@H]3CC[C@H](c4cc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C6CCOCC6)nc5cc4F)N3c3cc(F)c(N4CCC(c5ccccc5)CC4)c(F)c3)cc2[nH]1)C1CCOCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4210254
Phase	Preclinical
Structure Type	MOL
InChI Key	KTPXCZXUIDLHIU-HBIASZOZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1147.3

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C61H70F4N10O8
MW	1147.28

Activity Summary

EC50 10 meas. best 10.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Genome polyprotein CHEMBL5536	EC50	10.96	10.45	0.0	3
Nonstructural protein 5A CHEMBL3307224	EC50	9.87	9.87	0.1	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Genome polyprotein	EC50	=	0.011	nM	10.96	Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV geno...	29653491
Genome polyprotein	EC50	=	0.012	nM	10.92	Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV geno...	29653491
Nonstructural protein 5A	EC50	=	0.136	nM	9.87	Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decreas...	29653491
Genome polyprotein	EC50	=	0.337	nM	9.47	Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrea...	29653491

Literature References

PubMed	DOI	Target Context	# Activities
29653491	10.1021/acs.jmedchem.8b00082	Nonstructural protein 5A	10
29653491	10.1021/acs.jmedchem.8b00082	Genome polyprotein	8

Data from ChEMBL 36 via Core Engine