Compound Detail

CHEMBL353310

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Clc1nc2cc(Br)c(Br)cc2[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL353310
Phase	Preclinical
Structure Type	MOL
InChI Key	ZKYRZYZWRSJKNP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

310.4

MW (Da)

3.74

ALogP

HBA

HBD

28.7

PSA (Å²)

0.79

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.07

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human betaherpesvirus 5 CHEMBL371	IC50	5.07	5.07	8500.0	1
HFF CHEMBL614071	IC50	4.5	4.5	32000.0	1
KB CHEMBL398	IC50	4.46	4.46	35000.0	1
Human alphaherpesvirus 1 CHEMBL377	IC50	4.19	4.19	65000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human betaherpesvirus 5	IC50	=	8500.0	nM	5.07	Concentration required for 50% inhibition of HCMV replication was measured using...	9057868
HFF	IC50	=	32000.0	nM	4.5	Visual cytotoxicity was scored on HFF cells at time of HCMV plaque enumeration	9057868
KB	IC50	=	35000.0	nM	4.46	Inhibition of KB cell growth was determined	9057868
Human alphaherpesvirus 1	IC50	=	65000.0	nM	4.19	Antiviral activity was measured by plaque assay against HSV-1 virus by ELISA met...	9057868

PubMed	DOI	Target Context	# Activities
9057868	10.1021/jm960462g	Human betaherpesvirus 5	1
9057868	10.1021/jm960462g	Human alphaherpesvirus 1	1
9057868	10.1021/jm960462g	HFF	1
9057868	10.1021/jm960462g	KB	1

Data from ChEMBL 36 via Core Engine