Compound Detail

CHEMBL293441

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CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Cl)ccc2OC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL293441
Phase	Preclinical
Structure Type	MOL
InChI Key	FUDPGCHBEDGBSA-HMBFSZGFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

418.9

MW (Da)

2.25

ALogP

HBA

HBD

93.7

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 6.8

IC50 1 meas. best 6.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human rhinovirus A protease CHEMBL2857	EC50	6.8	6.155	160.0	4
Human rhinovirus sp. CHEMBL612470	IC50	6.8	6.8	160.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human rhinovirus A protease	EC50	=	160.0	nM	6.8	Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C	11985469
Human rhinovirus sp.	IC50	=	160.0	nM	6.8	Antiviral activity against Human rhinovirus	19112024
Human rhinovirus A protease	EC50	=	460.0	nM	6.34	50% effective concentration required to inhibit Human Rhinovirus 10 Protease 3C	11985469
Human rhinovirus A protease	EC50	=	650.0	nM	6.19	50% effective concentration required to inhibit Human Rhinovirus 2 Protease 3C	11985469
Human rhinovirus A protease	EC50	=	5100.0	nM	5.29	50% effective concentration required to inhibit Human Rhinovirus 1A Protease 3C	11985469

PubMed	DOI	Target Context	# Activities
11985469	10.1021/jm010435c	Human rhinovirus A protease	10
11985469	10.1021/jm010435c	HeLa	1
19112024	10.1016/j.bmc.2008.11.075	Human rhinovirus sp.	1

Data from ChEMBL 36 via Core Engine