Compound Detail

CHEMBL610343

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CC(C)(C)c1ccc(CSc2nc3cc(Cl)c(Cl)cc3n2C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL610343
Phase	Preclinical
Structure Type	MOL
InChI Key	MBXLIYFNDKXTLW-YJUWBKPTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

497.4

MW (Da)

4.54

ALogP

HBA

HBD

87.7

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human betaherpesvirus 5 CHEMBL371	IC50	4.7	4.6	20000.0	2
Human alphaherpesvirus 1 CHEMBL377	IC50	4.7	4.7	20000.0	1
KB CHEMBL398	IC50	4.3	4.3	50000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human betaherpesvirus 5	IC50	=	20000.0	nM	4.7	Activity against human cytomegalovirus (HCMV) using plaque reduction assay	8071942
Human alphaherpesvirus 1	IC50	=	20000.0	nM	4.7	Tested for anti-viral activity against Herpes simplex virus type-1 using ELISA.	8071942
Human betaherpesvirus 5	IC50	=	32000.0	nM	4.5	Tested for the visual cytotoxicity on HFF cells at the time of human cytomegalov...	8071942
KB	IC50	=	50000.0	nM	4.3	The inhibition of KB cell growth was determined	8071942

PubMed	DOI	Target Context	# Activities
8071942	10.1021/jm00044a015	Human betaherpesvirus 5	2
8071942	10.1021/jm00044a015	Human alphaherpesvirus 1	1
8071942	10.1021/jm00044a015	KB	1

Data from ChEMBL 36 via Core Engine