Compound Detail

CHEMBL5194586

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Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(I)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	CHEMBL5194586
Phase	Preclinical
Structure Type	MOL
InChI Key	DOPLNPHARZAHER-XPWFQUROSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

799.3

MW (Da)

-1.13

ALogP

HBA

HBD

316.8

PSA (Å²)

0.09

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 5 meas. best 7.18

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Stimulator of interferon genes protein CHEMBL4523377	EC50	7.18	7.18	66.0	1
Unchecked CHEMBL612545	EC50	7.01	6.29	97.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	EC50	=	66.0	nM	7.18	Agonist activity at human wild type STING expressed in 293T cells by digitonin c...	36201304
Unchecked	EC50	=	97.0	nM	7.01	Agonist activity at human STING AQ expressed in 293T cells by digitonin cell bas...	36201304
Unchecked	EC50	=	127.0	nM	6.9	Agonist activity at human STING HAQ expressed in 293T cells by digitonin cell ba...	36201304
Unchecked	EC50	=	2300.0	nM	5.64	Agonist activity at human STING Q expressed in 293T cells by digitonin cell base...	36201304
Unchecked	EC50	=	2480.0	nM	5.61	Agonist activity at human STING REF expressed in 293T cells by digitonin cell ba...	36201304

PubMed	DOI	Target Context	# Activities
36201304	10.1021/acs.jmedchem.2c01305	Unchecked	4
36201304	10.1021/acs.jmedchem.2c01305	Stimulator of interferon genes protein	3

Data from ChEMBL 36 via Core Engine