Compound Detail

CHEMBL1669304

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1cn(-c2c(F)cccc2F)nn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1669304
Phase	Preclinical
Structure Type	MOL
InChI Key	QYGPSKONHWPQCQ-BFHYXJOUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

407.3

MW (Da)

-0.30

ALogP

HBA

HBD

135.3

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 7 meas. best 5.51

IC50 3 meas. best 6.29

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HeLa CHEMBL399	IC50	6.29	6.29	510.0	1
CCRF-CEM CHEMBL382	IC50	5.82	5.82	1500.0	1
L1210 CHEMBL386	IC50	5.54	5.54	2900.0	1
Human alphaherpesvirus 3 CHEMBL613132	EC50	5.51	5.36	3100.0	2
Human betaherpesvirus 5 CHEMBL371	EC50	4.75	4.645	18000.0	2
Human alphaherpesvirus 1 CHEMBL377	EC50	4.51	4.475	31000.0	2
Vaccinia virus CHEMBL613493	EC50	4.42	4.42	38000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HeLa	IC50	=	510.0	nM	6.29	Cytotoxicity against human HeLa cells after 4 days by coulter counter analysis	21232828
CCRF-CEM	IC50	=	1500.0	nM	5.82	Cytotoxicity against human CEM cells after 3 days by coulter counter analysis	21232828
L1210	IC50	=	2900.0	nM	5.54	Cytotoxicity against mouse L1210 cells after 2 days by coulter counter analysis	21232828
Human alphaherpesvirus 3	EC50	=	3100.0	nM	5.51	Antiviral activity against VZV OKA expressing thymidine kinase infected in HEL c...	21232828
Human alphaherpesvirus 3	EC50	=	6100.0	nM	5.21	Antiviral activity against VZV 07-1 infected in HEL cells assessed as inhibition...	21232828
Human betaherpesvirus 5	EC50	=	18000.0	nM	4.75	Antiviral activity against HCMV Davis infected in HEL cells assessed as inhibiti...	21232828
Human betaherpesvirus 5	EC50	=	29000.0	nM	4.54	Antiviral activity against HCMV AD169 infected in HEL cells assessed as inhibiti...	21232828
Human alphaherpesvirus 1	EC50	=	31000.0	nM	4.51	Antiviral activity against thymidine kinase deficient acyclovir-resistant HSV1 K...	21232828
Human alphaherpesvirus 1	EC50	=	36000.0	nM	4.44	Antiviral activity against HSV1 KOS infected in HEL cells assessed as inhibition...	21232828
Vaccinia virus	EC50	=	38000.0	nM	4.42	Antiviral activity against Vaccinia virus infected in HEL cells assessed as inhi...	21232828

PubMed	DOI	Target Context	# Activities
21232828	10.1016/j.ejmech.2010.12.017	HEL	2
21232828	10.1016/j.ejmech.2010.12.017	Influenza A virus	2
21232828	10.1016/j.ejmech.2010.12.017	Vesicular stomatitis virus	2
21232828	10.1016/j.ejmech.2010.12.017	Human alphaherpesvirus 1	2
21232828	10.1016/j.ejmech.2010.12.017	Human betaherpesvirus 5	2
21232828	10.1016/j.ejmech.2010.12.017	Human alphaherpesvirus 3	2
21232828	10.1016/j.ejmech.2010.12.017	L1210	1
21232828	10.1016/j.ejmech.2010.12.017	Vaccinia virus	1
21232828	10.1016/j.ejmech.2010.12.017	Human alphaherpesvirus 2	1
21232828	10.1016/j.ejmech.2010.12.017	CCRF-CEM	1
21232828	10.1016/j.ejmech.2010.12.017	HeLa	1
21232828	10.1016/j.ejmech.2010.12.017	Influenza B virus	1
21232828	10.1016/j.ejmech.2010.12.017	Human respirovirus 3	1
21232828	10.1016/j.ejmech.2010.12.017	Mammalian orthoreovirus 1	1
21232828	10.1016/j.ejmech.2010.12.017	Sindbis virus	1
21232828	10.1016/j.ejmech.2010.12.017	Punta Toro virus	1
21232828	10.1016/j.ejmech.2010.12.017	Coxsackievirus B4	1
21232828	10.1016/j.ejmech.2010.12.017	Human immunodeficiency virus 1	1
21232828	10.1016/j.ejmech.2010.12.017	Human immunodeficiency virus 2	1

Data from ChEMBL 36 via Core Engine