Compound Detail

CHEMBL5433746

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Nc1ccn([C@@H]2O[C@H](CO)[C@H](OCP(=O)(O)O)[C@H]2O)c(=O)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5433746
Phase	Preclinical
Structure Type	MOL
InChI Key	UDTBSMUZVFAJIJ-BUJSFMDZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

337.2

MW (Da)

-2.40

ALogP

HBA

HBD

177.4

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 2 meas. best 4.31

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Measles morbillivirus CHEMBL613738	EC50	4.31	4.225	49000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Measles morbillivirus	EC50	=	49000.0	nM	4.31	Antiviral activity against MeV CC strain infected in African green monkey Vero 7...	37120998
Measles morbillivirus	EC50	=	72000.0	nM	4.14	Antiviral activity against MeV CC strain infected in African green monkey Vero 7...	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