Compound Detail

CHEMBL206291

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CCCCCCCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL206291
Phase	Preclinical
Structure Type	MOL
InChI Key	BLYNHZVAZVOTGV-SANMLTNESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

575.7

MW (Da)

5.64

ALogP

HBA

HBD

146.1

PSA (Å²)

0.09

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 9.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human betaherpesvirus 5 CHEMBL371	EC50	9.05	9.05	0.9	1
Murid betaherpesvirus 1 CHEMBL613495	EC50	9.0	9.0	1.0	1
Vaccinia virus CHEMBL613493	EC50	6.7	6.7	200.0	2
Cowpox virus CHEMBL612672	EC50	6.52	6.52	300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human betaherpesvirus 5	EC50	=	0.9	nM	9.05	Antiviral activity against HCMV AD-169 replication	16539388
Murid betaherpesvirus 1	EC50	=	1.0	nM	9.0	Antiviral activity against MCMV Smith replication	16539388
Vaccinia virus	EC50	=	200.0	nM	6.7	Antiviral activity against Vaccinia virus Copenhagen replication in HFF cells	16539388
Vaccinia virus	EC50	=	200.0	nM	6.7	Antiviral activity against Vaccinia virus infected in African green monkey Vero ...	36961984
Cowpox virus	EC50	=	300.0	nM	6.52	Antiviral activity against Cowpox virus Brighton replication in HFF cells	16539388

PubMed	DOI	Target Context	# Activities
16539388	10.1021/jm050473m	Human betaherpesvirus 5	1
16539388	10.1021/jm050473m	Murid betaherpesvirus 1	1
16539388	10.1021/jm050473m	Vaccinia virus	1
16539388	10.1021/jm050473m	Cowpox virus	1
36961984	10.1021/acs.jmedchem.3c00069	Vaccinia virus	1

Data from ChEMBL 36 via Core Engine