Compound Detail

CHEMBL348660

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NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL348660
Phase	Preclinical
Structure Type	MOL
InChI Key	GNHGMLHHGVQGSW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

280.3

MW (Da)

1.51

ALogP

HBA

HBD

80.5

PSA (Å²)

0.87

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 7.72

EC50 1 meas. best 4.85

IC50 1 meas. best 4.9

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human rhinovirus A protease CHEMBL2857	Ki	7.72	7.72	19.0	1
Replicase polyprotein 1a CHEMBL3927	IC50	4.9	4.9	12500.0	1
Replicase polyprotein 1a CHEMBL3927	Ki	4.9	4.895	12589.2	2
HeLa CHEMBL399	EC50	4.85	4.85	14100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human rhinovirus A protease	Ki	=	19.0	nM	7.72	Inhibition of human rhinovirus 3C protease	8978838
Replicase polyprotein 1a	IC50	=	12500.0	nM	4.9	Inhibition of SARS CoV 3C-like protease	16759084
Replicase polyprotein 1a	Ki	=	12589.25	nM	4.9	Inhibition of SARS CoV 3C-like protease	16759084
Replicase polyprotein 1a	Ki	=	13000.0	nM	4.89	Inhibition of SARS CoV 3C-like protease	16759084
HeLa	EC50	=	14100.0	nM	4.85	Compound was tested for the antiviral activity against Human Rhinovirus -14(HRV-...	8978838

PubMed	DOI	Target Context	# Activities
16759084	10.1021/jm0602357	Replicase polyprotein 1a	3
8978838	10.1021/jm960603e	HeLa	2
8978838	10.1021/jm960603e	Human rhinovirus A protease	1
8978838	10.1021/jm960603e	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine