Compound Detail

CHEMBL2063188

Enter ChEMBL ID:

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

CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CCOCCn1cnc2c(=O)[nH]c(N)nc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2063188
Phase	Preclinical
Structure Type	MOL
InChI Key	HUOBYZOIOBKIKJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

585.7

MW (Da)

5.81

ALogP

HBA

HBD

154.6

PSA (Å²)

0.09

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 8 meas. best 7.22

IC50 2 meas. best 5.33

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human betaherpesvirus 5 CHEMBL371	EC50	7.22	7.055	60.0	2
Human alphaherpesvirus 3 CHEMBL613132	EC50	6.85	6.6967	140.0	3
Human alphaherpesvirus 1 CHEMBL377	EC50	5.86	5.705	1370.0	2
Human alphaherpesvirus 2 CHEMBL370	EC50	5.72	5.72	1900.0	1
Plasmodium falciparum CHEMBL364	IC50	5.33	5.225	4700.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human betaherpesvirus 5	EC50	=	60.0	nM	7.22	Antiviral activity against HCMV Davis infected in HEL cells by viral CPE assay	22858222
Human betaherpesvirus 5	EC50	=	130.0	nM	6.89	Antiviral activity against HCMV AD169 infected in HEL cells by viral CPE assay	22858222
Human alphaherpesvirus 3	EC50	=	140.0	nM	6.85	Antiviral activity against thymidine kinase positive VZV OKa infected in HEL cel...	22858222
Human alphaherpesvirus 3	EC50	=	190.0	nM	6.72	Antiviral activity against thymidine kinase positive VZV YS infected in HEL cell...	22858222
Human alphaherpesvirus 3	EC50	=	300.0	nM	6.52	Antiviral activity against thymidine kinase negative VZV 07/01 infected in HEL c...	22858222
Human alphaherpesvirus 1	EC50	=	1370.0	nM	5.86	Antiviral activity against HSV1 KOS infected in HEL cells by viral CPE assay	22858222
Human alphaherpesvirus 2	EC50	=	1900.0	nM	5.72	Antiviral activity against HSV2 G infected in HEL cells by viral CPE assay	22858222
Human alphaherpesvirus 1	EC50	=	2800.0	nM	5.55	Antiviral activity against thymidine kinase negative and ACV resistant HSV1 KOS ...	22858222
Plasmodium falciparum	IC50	=	4700.0	nM	5.33	Antimalarial activity against chloroquine and pyrimethamine-resistant early trop...	23448281
Plasmodium falciparum	IC50	=	7600.0	nM	5.12	Antimalarial activity against wild type early trophozoite stage of Plasmodium fa...	23448281

PubMed	DOI	Target Context	# Activities
22858222	10.1016/j.ejmech.2012.07.027	NON-PROTEIN TARGET	9
22858222	10.1016/j.ejmech.2012.07.027	Human alphaherpesvirus 3	4
22858222	10.1016/j.ejmech.2012.07.027	Human alphaherpesvirus 1	2
23448281	10.1021/jm301893b	Plasmodium falciparum	2
22858222	10.1016/j.ejmech.2012.07.027	HEL	2
22858222	10.1016/j.ejmech.2012.07.027	Human betaherpesvirus 5	2
22858222	10.1016/j.ejmech.2012.07.027	Vaccinia virus	1
22858222	10.1016/j.ejmech.2012.07.027	Felid alphaherpesvirus 1	1
22858222	10.1016/j.ejmech.2012.07.027	Human immunodeficiency virus 1	1
22858222	10.1016/j.ejmech.2012.07.027	Human immunodeficiency virus 2	1
22858222	10.1016/j.ejmech.2012.07.027	Vesicular stomatitis virus	1
22858222	10.1016/j.ejmech.2012.07.027	Coxsackievirus B4	1
22858222	10.1016/j.ejmech.2012.07.027	Respiratory syncytial virus	1
22858222	10.1016/j.ejmech.2012.07.027	Human respirovirus 3	1
22858222	10.1016/j.ejmech.2012.07.027	Mammalian orthoreovirus 1	1
22858222	10.1016/j.ejmech.2012.07.027	Sindbis virus	1
22858222	10.1016/j.ejmech.2012.07.027	Punta Toro virus	1
23448281	10.1021/jm301893b	ADMET	1
23448281	10.1021/jm301893b	C32	1
23448281	10.1021/jm301893b	A549	1

Data from ChEMBL 36 via Core Engine