Compound Detail

CHEMBL383419

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CCCCCCC#Cc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL383419
Phase	Preclinical
Structure Type	MOL
InChI Key	HEDJMBGZPDZOJB-GVDBMIGSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

360.4

MW (Da)

1.95

ALogP

HBA

HBD

97.7

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 5.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human alphaherpesvirus 3 CHEMBL613132	EC50	5.82	5.0267	1500.0	3
Human betaherpesvirus 5 CHEMBL371	EC50	4.72	4.7	19000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human alphaherpesvirus 3	EC50	=	1500.0	nM	5.82	Antiviral activity against Varicella-Zoster virus YS strain	16392824
Human betaherpesvirus 5	EC50	=	19000.0	nM	4.72	Antiviral activity against human cytomegalovirus Davis strain	16392824
Human betaherpesvirus 5	EC50	=	21000.0	nM	4.68	Antiviral activity against human cytomegalovirus AD169 strain	16392824
Human alphaherpesvirus 3	EC50	=	22000.0	nM	4.66	Antiviral activity against Varicella-Zoster virus YS/R strain	16392824
Human alphaherpesvirus 3	EC50	=	25000.0	nM	4.6	Antiviral activity against Varicella-Zoster virus 07/1 strain	16392824

PubMed	DOI	Target Context	# Activities
16392824	10.1021/jm050867d	Human alphaherpesvirus 3	3
16392824	10.1021/jm050867d	Human betaherpesvirus 5	2
16392824	10.1021/jm050867d	HEL	2

Data from ChEMBL 36 via Core Engine