Compound Detail

CHEMBL573132

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CN(C)CCCN(/N=N/c1cccc([N+](=O)[O-])c1)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL573132
Phase	Preclinical
Structure Type	MOL
InChI Key	TVRPSUDZLNVBGB-VHEBQXMUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

327.4

MW (Da)

4.05

ALogP

HBA

HBD

74.3

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 4.62

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Yellow fever virus CHEMBL613731	EC50	4.62	4.62	24000.0	1
Human alphaherpesvirus 1 CHEMBL377	EC50	4.52	4.52	30000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Yellow fever virus	EC50	=	24000.0	nM	4.62	Antiviral activity against Yellow fever virus infected in BHK-21 cells assessed ...	19482481
Human alphaherpesvirus 1	EC50	=	30000.0	nM	4.52	Antiviral activity against HSV1 infected in Vero-76 cells after 3 days by plaque...	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