Compound Detail

CHEMBL312038

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CC(=O)OC1[C@@H](OC(C)=O)CO[C@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL312038
Phase	Preclinical
Structure Type	MOL
InChI Key	VDGVPWFISAFSST-SMEJFCCLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

407.6

MW (Da)

3.39

ALogP

HBA

HBD

79.7

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human betaherpesvirus 5 CHEMBL371	IC50	7.0	6.74	100.0	2
HFF CHEMBL614071	IC50	6.6	5.495	250.0	2
ADMET CHEMBL612558	IC50	4.35	4.35	45000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human betaherpesvirus 5	IC50	=	100.0	nM	7.0	Compound was tested for antiviral activity against HCMV in viral cytopathic effe...	10882374
HFF	IC50	=	250.0	nM	6.6	Compound was tested for antiviral activity against Towne strain of HCMV in a pla...	10882374
Human betaherpesvirus 5	IC50	=	330.0	nM	6.48	Compound was tested for antiviral activity against HCMV in DNA hybridization ass...	10882374
HFF	IC50	=	41000.0	nM	4.39	Compound was tested for visual cytotoxicity on HFF cells unaffected by HCMV at t...	10882374
ADMET	IC50	=	45000.0	nM	4.35	Compound was tested for inhibition of KB cell growth in quadruplicate assay	10882374

PubMed	DOI	Target Context	# Activities
10882374	10.1021/jm990195p	HFF	3
10882374	10.1021/jm990195p	Human betaherpesvirus 5	2
10882374	10.1021/jm990195p	Human alphaherpesvirus 1	1
10882374	10.1021/jm990195p	ADMET	1

Data from ChEMBL 36 via Core Engine