Compound Detail

CHEMBL575862

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O=[N+]([O-])c1cccc(/N=N/Nc2ccccc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL575862
Phase	Preclinical
Structure Type	MOL
InChI Key	MKDXOZANWLVESV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

242.2

MW (Da)

3.71

ALogP

HBA

HBD

79.9

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 1 meas. best 4.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Bovine viral diarrhea virus 1 CHEMBL612571	EC50	4.72	4.72	19000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bovine viral diarrhea virus 1	EC50	=	19000.0	nM	4.72	Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as...	19482481

PubMed	DOI	Target Context	# Activities
19482481	10.1016/j.bmc.2009.05.020	ADMET	2
19482481	10.1016/j.bmc.2009.05.020	Human immunodeficiency virus 1	2
19482481	10.1016/j.bmc.2009.05.020	Poliovirus 1	1
19482481	10.1016/j.bmc.2009.05.020	Human alphaherpesvirus 1	1
19482481	10.1016/j.bmc.2009.05.020	Respiratory syncytial virus	1
19482481	10.1016/j.bmc.2009.05.020	Coxsackievirus B2	1
19482481	10.1016/j.bmc.2009.05.020	Vero	1
19482481	10.1016/j.bmc.2009.05.020	Mammalian orthoreovirus 1	1
19482481	10.1016/j.bmc.2009.05.020	Yellow fever virus	1
19482481	10.1016/j.bmc.2009.05.020	Bovine viral diarrhea virus 1	1
19482481	10.1016/j.bmc.2009.05.020	MT4	1
19482481	10.1016/j.bmc.2009.05.020	Vesicular stomatitis virus	1
19482481	10.1016/j.bmc.2009.05.020	Vaccinia virus	1

Data from ChEMBL 36 via Core Engine