Compound Detail

CHEMBL2092972

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NC(=S)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(N)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2092972
Phase	Preclinical
Structure Type	MOL
InChI Key	XZOKDXWQSCIKCM-ADVRJHOBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

325.4

MW (Da)

-1.74

ALogP

HBA

HBD

152.7

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 5 meas. best 6.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	6.3	6.3	500.0	1
Human betaherpesvirus 5 CHEMBL371	IC50	6.22	6.22	600.0	1
HFF CHEMBL614071	IC50	6.22	6.22	600.0	1
KB CHEMBL398	IC50	6.0	6.0	1000.0	1
Human alphaherpesvirus 1 CHEMBL377	IC50	5.72	5.72	1900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	500.0	nM	6.3	Inhibition of L1210 murine leukemic cells proliferation in vitro	7562947
Human betaherpesvirus 5	IC50	=	600.0	nM	6.22	In vitro antiviral activity against human cytomegalovirus by plaque method.	7562947
HFF	IC50	=	600.0	nM	6.22	Visual cytotoxicity scored on HFF cells at the time of HCMV plaque enumeration.	7562947
KB	IC50	=	1000.0	nM	6.0	In vitro inhibition of KB cell proliferation.	7562947
Human alphaherpesvirus 1	IC50	=	1900.0	nM	5.72	Antiviral activity against herpes simplex virus type 1(HSV-1) ELISA method	7562947

PubMed	DOI	Target Context	# Activities
7562947	10.1021/jm00020a027	Human betaherpesvirus 5	2
7562947	10.1021/jm00020a027	Human alphaherpesvirus 1	1
7562947	10.1021/jm00020a027	HFF	1
7562947	10.1021/jm00020a027	KB	1
7562947	10.1021/jm00020a027	L1210	1

Data from ChEMBL 36 via Core Engine