Compound Detail

CHEMBL5200248

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Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6cc7ccccc7c7ccccc67)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5200248
Phase	Preclinical
Structure Type	MOL
InChI Key	BWLIWSKMFJDEAA-NJVYLJTFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

849.6

MW (Da)

2.24

ALogP

HBA

HBD

316.8

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 5 meas. best 7.21

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Stimulator of interferon genes protein CHEMBL4523377	EC50	7.21	5.695	61.0	2
Unchecked CHEMBL612545	EC50	6.05	5.4067	900.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	EC50	=	61.0	nM	7.21	Agonist activity at human wild type STING expressed in 293T cells by digitonin c...	36201304
Unchecked	EC50	=	900.0	nM	6.05	Agonist activity at human STING HAQ expressed in 293T cells by digitonin cell ba...	36201304
Unchecked	EC50	=	1400.0	nM	5.85	Agonist activity at human STING AQ expressed in 293T cells by digitonin cell bas...	36201304
Unchecked	EC50	=	47540.0	nM	4.32	Induction of IFNgamma secretion in human PBMC incubated for 16 hrs	36201304
Stimulator of interferon genes protein	EC50	=	65450.0	nM	4.18	Agonist activity at human wild type full length STING expressed in 293T cells in...	36201304

PubMed	DOI	Target Context	# Activities
36201304	10.1021/acs.jmedchem.2c01305	Unchecked	8
36201304	10.1021/acs.jmedchem.2c01305	Stimulator of interferon genes protein	3

Data from ChEMBL 36 via Core Engine