Compound Detail

CHEMBL342983

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Cc1c(N)nc(N)nc1OCCOCP(=O)(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL342983
Phase	Preclinical
Structure Type	MOL
InChI Key	JSPYZDUIKDWUQG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

278.2

MW (Da)

-0.52

ALogP

HBA

HBD

153.8

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 7 meas. best 6.8

IC50 5 meas. best 10.74

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human alphaherpesvirus 3 CHEMBL613132	IC50	10.74	10.74	0.0	1
Human betaherpesvirus 5 CHEMBL371	IC50	9.14	9.14	0.7	1
Vaccinia virus CHEMBL613493	IC50	9.07	9.07	0.9	1
Human alphaherpesvirus 2 CHEMBL370	IC50	8.92	8.92	1.2	1
Human alphaherpesvirus 1 CHEMBL377	IC50	8.92	8.92	1.2	1
Moloney murine sarcoma virus CHEMBL613501	EC50	6.8	6.73	160.0	2
Human immunodeficiency virus CHEMBL613758	EC50	6.8	6.8	160.0	1
Human immunodeficiency virus 2 CHEMBL380	EC50	6.51	6.51	310.0	1
Human immunodeficiency virus 1 CHEMBL378	EC50	6.37	6.37	430.0	1
Human alphaherpesvirus 3 CHEMBL613132	EC50	4.75	4.565	18000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human alphaherpesvirus 3	IC50	=	0.018	nM	10.74	Antiviral activity against Varicella zoster virus	19112024
Human betaherpesvirus 5	IC50	=	0.72	nM	9.14	Antiviral activity against Human cytomegalovirus	19112024
Vaccinia virus	IC50	=	0.86	nM	9.07	Antiviral activity against Vaccinia virus	19112024
Human alphaherpesvirus 1	IC50	=	1.2	nM	8.92	Antiviral activity against Herpes simplex virus 1	19112024
Human alphaherpesvirus 2	IC50	=	1.2	nM	8.92	Antiviral activity against Herpes simplex virus 2	19112024
Human immunodeficiency virus	EC50	=	160.0	nM	6.8	Antiviral activity against HIV infected in human CEM cells assessed as inhibitio...	32676147
Moloney murine sarcoma virus	EC50	=	160.0	nM	6.8	Antiviral activity against Moloney murine sarcoma virus infected in murine C3H/3...	32676147
Moloney murine sarcoma virus	EC50	=	220.0	nM	6.66	Antiviral activity against murine sarcoma virus	14584956
Human immunodeficiency virus 2	EC50	=	310.0	nM	6.51	Antiviral activity against HIV-2 (ROD) in CEM (human leukemia) cells.	14584956
Human immunodeficiency virus 1	EC50	=	430.0	nM	6.37	Antiviral activity against HIV-1 (IIIB) in CEM (human leukemia) cells.	14584956
Human alphaherpesvirus 3	EC50	=	18000.0	nM	4.75	Antiviral activity against OKA strain of VZV in HEL (human erythroleukemia) cell...	14584956
Human alphaherpesvirus 3	EC50	=	42000.0	nM	4.38	Antiviral activity against 07/1 strain of VZV in HEL (human erythroleukemia) cel...	14584956

PubMed	DOI	Target Context	# Activities
14584956	10.1021/jm030932o	NON-PROTEIN TARGET	3
14584956	10.1021/jm030932o	Cytomegalovirus	2
14584956	10.1021/jm030932o	Human alphaherpesvirus 3	2
14584956	10.1021/jm030932o	Human immunodeficiency virus 1	1
14584956	10.1021/jm030932o	Human immunodeficiency virus 2	1
14584956	10.1021/jm030932o	Moloney murine sarcoma virus	1
14584956	10.1021/jm030932o	CCRF-CEM	1
19112024	10.1016/j.bmc.2008.11.075	Human alphaherpesvirus 1	1
19112024	10.1016/j.bmc.2008.11.075	Human alphaherpesvirus 2	1
19112024	10.1016/j.bmc.2008.11.075	Human betaherpesvirus 5	1
19112024	10.1016/j.bmc.2008.11.075	Vaccinia virus	1
19112024	10.1016/j.bmc.2008.11.075	Human alphaherpesvirus 3	1
32676147	10.1021/acsmedchemlett.0c00090	Human immunodeficiency virus	1
32676147	10.1021/acsmedchemlett.0c00090	Moloney murine sarcoma virus	1

Data from ChEMBL 36 via Core Engine