Compound Detail

CHEMBL5425806

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O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](OCP(=O)(O)O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5425806
Phase	Preclinical
Structure Type	MOL
InChI Key	NWXYDBZABATGNK-ICQCTTRCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

362.2

MW (Da)

-2.11

ALogP

HBA

HBD

180.0

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 2 meas. best 4.34

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
enterovirus D68 CHEMBL613204	EC50	4.34	4.195	46000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
enterovirus D68	EC50	=	46000.0	nM	4.34	Antiviral activity against EV-68 US/KY/14-18953 infected in human RD cells asses...	37120998
enterovirus D68	EC50	=	89000.0	nM	4.05	Antiviral activity against EV-68 US/KY/14-18953 infected in human RD cells asses...	37120998

PubMed	DOI	Target Context	# Activities
37120998	10.1016/j.ejmech.2023.115379	ADMET	6
37120998	10.1016/j.ejmech.2023.115379	dengue virus type 2	2
37120998	10.1016/j.ejmech.2023.115379	Huh-7	2
37120998	10.1016/j.ejmech.2023.115379	enterovirus D68	2
37120998	10.1016/j.ejmech.2023.115379	RD	2
37120998	10.1016/j.ejmech.2023.115379	Vero 76	2
37120998	10.1016/j.ejmech.2023.115379	Measles morbillivirus	2
37120998	10.1016/j.ejmech.2023.115379	Influenza A virus	1
37120998	10.1016/j.ejmech.2023.115379	Middle East respiratory syndrome-related coronavirus	1
37120998	10.1016/j.ejmech.2023.115379	Respiratory syncytial virus	1
37120998	10.1016/j.ejmech.2023.115379	Tacaribe virus	1
37120998	10.1016/j.ejmech.2023.115379	Herpesviridae sp.	1
37120998	10.1016/j.ejmech.2023.115379	Hepatitis B virus	1

Data from ChEMBL 36 via Core Engine