Compound Detail

CHEMBL2315147

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CCOc1ccc(-n2nnc3cc(NCc4ccc(CC)cc4)cnc32)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2315147
Phase	Preclinical
Structure Type	MOL
InChI Key	YUVGOUASBRZESW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

373.5

MW (Da)

4.39

ALogP

HBA

HBD

64.9

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 9.06

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lassa virus CHEMBL615051	EC50	9.06	9.06	0.9	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	8.11	7.57	7.7	2
Junin virus CHEMBL4523072	EC50	7.85	7.85	14.0	1
Machupo mammarenavirus CHEMBL4888477	EC50	7.09	7.09	81.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lassa virus	EC50	=	0.87	nM	9.06	Antiviral activity against Lassa virus by pseudo-type antiviral assay	23265900
NON-PROTEIN TARGET	EC50	=	7.7	nM	8.11	Antiviral activity against Guanarito virus	23265900
Junin virus	EC50	=	14.0	nM	7.85	Antiviral activity against Junin virus	23265900
Machupo mammarenavirus	EC50	=	81.0	nM	7.09	Antiviral activity against Machupo virus	23265900
NON-PROTEIN TARGET	EC50	=	93.0	nM	7.03	Antiviral activity against Sabia virus	23265900

PubMed	DOI	Target Context	# Activities
23265900	10.1016/j.bmcl.2012.11.093	NON-PROTEIN TARGET	2
23265900	10.1016/j.bmcl.2012.11.093	Junin virus	1
23265900	10.1016/j.bmcl.2012.11.093	Machupo mammarenavirus	1
23265900	10.1016/j.bmcl.2012.11.093	Lassa virus	1

Data from ChEMBL 36 via Core Engine