Compound Detail

CHEMBL342980

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CCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL342980
Phase	Preclinical
Structure Type	MOL
InChI Key	DHPMRZDLVQGMJR-USXIJHARSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

356.4

MW (Da)

1.86

ALogP

HBA

HBD

97.7

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Molecular identity unknown CHEMBL612546	EC50	7.16	7.105	70.0	2
Human alphaherpesvirus 3 CHEMBL613132	EC50	7.16	7.105	70.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human alphaherpesvirus 3	EC50	=	70.0	nM	7.16	Evaluated for the anti-VZV activity, the concentration of compounds in uM requir...	11150169
Molecular identity unknown	EC50	=	70.0	nM	7.16	Effective concentration required to reduce Varicella Zoster virus YS plaque form...	15993062
Human alphaherpesvirus 3	EC50	=	90.0	nM	7.05	Evaluated for the anti-VZV activity, the concentration of compounds in uM requir...	11150169
Molecular identity unknown	EC50	=	90.0	nM	7.05	Effective concentration required to reduce Varicella Zoster virus OKA plaque for...	15993062

PubMed	DOI	Target Context	# Activities
11150169	10.1021/jm000210m	Human alphaherpesvirus 3	6
15993062	10.1016/j.bmcl.2005.05.071	Molecular identity unknown	4
11150169	10.1021/jm000210m	No relevant target	1
15993062	10.1016/j.bmcl.2005.05.071	No relevant target	1
15993062	10.1016/j.bmcl.2005.05.071	NON-PROTEIN TARGET	1
15993062	10.1016/j.bmcl.2005.05.071	HeLa	1

Data from ChEMBL 36 via Core Engine