Compound Detail

CHEMBL2322826

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COc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2322826
Phase	Preclinical
Structure Type	MOL
InChI Key	NPIICRVNFVQQQJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

359.4

MW (Da)

4.65

ALogP

HBA

HBD

48.3

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 8.25

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	8.25	7.605	5.6	2
Junin virus CHEMBL4523072	EC50	8.11	8.11	7.7	1
Lassa virus CHEMBL615051	EC50	7.96	7.96	11.0	1
Machupo mammarenavirus CHEMBL4888477	EC50	7.35	7.35	45.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	EC50	=	5.6	nM	8.25	Antiviral activity against Guanarito virus pseudovirions infected in HEK293T/17 ...	23265895
Junin virus	EC50	=	7.7	nM	8.11	Antiviral activity against Junin virus pseudovirions infected in HEK293T/17 cell...	23265895
Lassa virus	EC50	=	11.0	nM	7.96	Antiviral activity against Lassa virus pseudovirions infected in HEK293T/17 cell...	23265895
Machupo mammarenavirus	EC50	=	45.0	nM	7.35	Antiviral activity against Machupo virus pseudovirions infected in HEK293T/17 ce...	23265895
NON-PROTEIN TARGET	EC50	=	110.0	nM	6.96	Antiviral activity against Sabia virus pseudovirions infected in HEK293T/17 cell...	23265895

PubMed	DOI	Target Context	# Activities
23265895	10.1016/j.bmcl.2012.11.095	NON-PROTEIN TARGET	2
23265895	10.1016/j.bmcl.2012.11.095	Junin virus	1
23265895	10.1016/j.bmcl.2012.11.095	Machupo mammarenavirus	1
23265895	10.1016/j.bmcl.2012.11.095	Lassa virus	1

Data from ChEMBL 36 via Core Engine