Compound Detail

CHEMBL5197904

Enter ChEMBL ID:

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

N.N.Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)(S)O[C@H]4C[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CO[P@@](=O)(S)O[C@@H]2[C@@H]3F)c(=O)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5197904
Phase	Preclinical
Structure Type	MOL
InChI Key	MCXCWEALGGVJMJ-ZBHTZQFDSA-N
Parent Compound	CHEMBL5222383
Active Moiety	CHEMBL5222383

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

692.5

MW (Da)

1.54

ALogP

HBA

HBD

248.7

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 2 meas. best 6.09

IC50 2 meas. best 9.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Stimulator of interferon genes protein CHEMBL4523377	IC50	9.0	8.885	1.0	2
Stimulator of interferon genes protein CHEMBL4523377	EC50	6.09	6.09	820.0	1
Stimulator of interferon genes protein CHEMBL4523311	EC50	5.49	5.49	3210.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	IC50	=	1.0	nM	9.0	Displacement of radiolabeled [3H]-2',3'-cGAMP from human STING HAQ variant incub...	35332774
Stimulator of interferon genes protein	IC50	=	1.7	nM	8.77	Displacement of radiolabeled [3H]-2',3'-cGAMP from wild type human STING incubat...	35332774
Stimulator of interferon genes protein	EC50	=	820.0	nM	6.09	Agonist activity at STING HAQ variant in human THP1 cell assessed as increase in...	35332774
Stimulator of interferon genes protein	EC50	=	3210.0	nM	5.49	Agonist activity at STING HAQ variant in mouse BMDC cells assessed as increase i...	35332774

PubMed	DOI	Target Context	# Activities
35332774	10.1021/acs.jmedchem.1c02197	Stimulator of interferon genes protein	8

Data from ChEMBL 36 via Core Engine