Compound Detail

CHEMBL1774184

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CC(C)CCCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](CO)Cn1cnc2c(N)ncnc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1774184
Phase	Preclinical
Structure Type	MOL
InChI Key	FEIKTFOPIHNZJP-VWLOTQADSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

585.7

MW (Da)

5.69

ALogP

HBA

HBD

154.8

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	8.0	8.0	10.0	1
Ectromelia virus Moscow CHEMBL612728	EC50	8.0	8.0	10.0	1
Vaccinia virus CHEMBL613493	EC50	8.0	8.0	10.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Ectromelia virus Moscow	EC50	=	10.0	nM	8.0	Antiviral activity against Ectromelia virus Moscow infected in african green mon...	21493074
NON-PROTEIN TARGET	EC50	=	10.0	nM	8.0	Antiviral activity against Cowpox virus (Brighton Red) infected in human HFF cel...	21493074
Vaccinia virus	EC50	=	10.0	nM	8.0	Antiviral activity against Vaccinia virus Copenhagen infected in human HFF cells...	21493074

PubMed	DOI	Target Context	# Activities
21493074	10.1016/j.bmc.2011.03.034	Unchecked	3
21493074	10.1016/j.bmc.2011.03.034	Ectromelia virus Moscow	1
21493074	10.1016/j.bmc.2011.03.034	BSC-1	1
21493074	10.1016/j.bmc.2011.03.034	NON-PROTEIN TARGET	1
21493074	10.1016/j.bmc.2011.03.034	HFF	1
21493074	10.1016/j.bmc.2011.03.034	Vaccinia virus	1

Data from ChEMBL 36 via Core Engine