Compound Detail

CHEMBL5185627

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Cc1cn([C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c2nc(N)[nH]c(=O)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5185627
Phase	Preclinical
Structure Type	MOL
InChI Key	GVQDDXDXVYQIHM-NAGRZYTCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

687.5

MW (Da)

-1.43

ALogP

HBA

HBD

316.8

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 5 meas. best 5.86

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	EC50	5.86	5.5475	1370.0	4
Stimulator of interferon genes protein CHEMBL4523377	EC50	5.52	5.52	3010.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	EC50	=	1380.0	nM	5.86	Agonist activity at human STING HAQ expressed in 293T cells by digitonin cell ba...	36201304
Unchecked	EC50	=	1370.0	nM	5.86	Agonist activity at human STING AQ expressed in 293T cells by digitonin cell bas...	36201304
Unchecked	EC50	=	2540.0	nM	5.59	Agonist activity at human STING Q expressed in 293T cells by digitonin cell base...	36201304
Stimulator of interferon genes protein	EC50	=	3010.0	nM	5.52	Agonist activity at human wild type STING expressed in 293T cells by digitonin c...	36201304
Unchecked	EC50	=	13340.0	nM	4.88	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