Compound Detail

CHEMBL421982

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Cc1cn(/C=C2/CC2(CO)CO)c(=O)[nH]c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL421982
Phase	Preclinical
Structure Type	MOL
InChI Key	CIYMTMDEMOEQHC-YWEYNIOJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

238.2

MW (Da)

-0.94

ALogP

HBA

HBD

95.3

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas.

EC50 2 meas. best 5.34

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human gammaherpesvirus 4 CHEMBL613124	EC50	5.34	5.03	4600.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human gammaherpesvirus 4	EC50	=	4600.0	nM	5.34	In vitro effective concentration required to inhibit Epstein-Barr virus (EBV) re...	14736238
Human gammaherpesvirus 4	EC50	=	19000.0	nM	4.72	In vitro effective concentration required to inhibit Epstein-Barr virus (EBV) re...	14736238

PubMed	DOI	Target Context	# Activities
14736238	10.1021/jm030316s	Human betaherpesvirus 5	3
14736238	10.1021/jm030316s	Human gammaherpesvirus 4	3
14736238	10.1021/jm030316s	MEF	2
14736238	10.1021/jm030316s	HFF	1
14736238	10.1021/jm030316s	Human alphaherpesvirus 3	1
14736238	10.1021/jm030316s	Hepatitis B virus	1
14736238	10.1021/jm030316s	HepG2	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	Human alphaherpesvirus 3	1

Data from ChEMBL 36 via Core Engine