Compound Detail

CHEMBL347555

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OC[C@H]1C/C1=C/n1cnc2c(O)ncnc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL347555
Phase	Preclinical
Structure Type	MOL
InChI Key	MRHHPLQEOZXCEK-DORPFBBESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

218.2

MW (Da)

0.38

ALogP

HBA

HBD

84.1

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 7 meas. best 6.2

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
CCRF-CEM CHEMBL382	EC50	6.2	6.2	630.0	1
HEL CHEMBL613888	EC50	5.82	5.82	1500.0	1
HFF CHEMBL614071	EC50	5.62	5.62	2400.0	1
BSC-1 CHEMBL614528	EC50	5.06	5.06	8800.0	1
HepG2 CHEMBL395	EC50	5.05	5.05	9000.0	1
Vero CHEMBL391	EC50	4.8	4.63	16000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
CCRF-CEM	EC50	=	630.0	nM	6.2	Antiviral activity against EBV was determined in H-1 cell line	9857093
HEL	EC50	=	1500.0	nM	5.82	Antiviral activity against VZV was determined in HEL cell line	9857093
HFF	EC50	=	2400.0	nM	5.62	Antiviral activity against HCMV was determined in HFF cell line	9857093
BSC-1	EC50	=	8800.0	nM	5.06	Antiviral activity against HSV-1 was determined in BSC-1 cell line	9857093
HepG2	EC50	=	9000.0	nM	5.05	Antiviral activity against HBV was determined in 2.215 cell line	9857093
Vero	EC50	=	16000.0	nM	4.8	Antiviral activity against HSV-1 was determined in vero cell line	9857093
Vero	EC50	=	35000.0	nM	4.46	Antiviral activity against HSV-2 was determined in vero cell line	9857093

PubMed	DOI	Target Context	# Activities
9857093	10.1021/jm980323u	Vero	2
9857093	10.1021/jm980323u	HFF	1
9857093	10.1021/jm980323u	BSC-1	1
9857093	10.1021/jm980323u	CCRF-CEM	1
9857093	10.1021/jm980323u	MT4	1
9857093	10.1021/jm980323u	HepG2	1
9857093	10.1021/jm980323u	HEL	1

Data from ChEMBL 36 via Core Engine