Compound Detail

CHEMBL4562949

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc(-c2cc3c4c(c2)OCc2cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)[nH]5)cc(c2-4)OC3)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4562949
Phase	Preclinical
Structure Type	MOL
InChI Key	HYLMTEUPACFZBJ-BIKBBBLQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

823.0

MW (Da)

6.79

ALogP

HBA

HBD

193.1

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 10.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nonstructural protein 5A CHEMBL3307224	EC50	10.72	9.47	0.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nonstructural protein 5A	EC50	=	0.019	nM	10.72	Inhibition of NS5A in HCV genotype 1b Con1 infected in human HuH7 replicon cells...	31230974
Nonstructural protein 5A	EC50	=	0.031	nM	10.51	Inhibition of NS5A in HCV genotype 1a H77 infected in human HuH7 replicon cells ...	31230974
Nonstructural protein 5A	EC50	=	1.85	nM	8.73	Inhibition of NS5A L31M mutant in patient derived HCV genotype 2a MD2b-1 infecte...	31230974
Nonstructural protein 5A	EC50	=	12.1	nM	7.92	Inhibition of NS5A L31M mutant in HCV genotype 2a JFH1 infected in human HuH7 re...	31230974

PubMed	DOI	Target Context	# Activities
31230974	10.1016/j.bmcl.2019.04.027	Nonstructural protein 5A	5
31230974	10.1016/j.bmcl.2019.04.027	No relevant target	1

Data from ChEMBL 36 via Core Engine