Compound Detail

CHEMBL5187053

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CCn1nc(C)cc1C(=O)/N=c1\[nH]c2cc(C=O)cc(OCCCN3CCOCC3)c2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC)c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5187053
Phase	Preclinical
Structure Type	MOL
InChI Key	QUOUZMINIBQVEY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

837.0

MW (Da)

3.86

ALogP

HBA

HBD

223.8

PSA (Å²)

0.08

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 4 meas. best 6.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Stimulator of interferon genes protein CHEMBL4523377	EC50	6.89	6.805	130.0	2
Stimulator of interferon genes protein CHEMBL4523311	EC50	6.73	6.73	186.0	1
Unchecked CHEMBL612545	EC50	6.7	6.7	200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	EC50	=	130.0	nM	6.89	Agonist activity to C-terminal domain STING (139 to 379 residues) in human PBMC ...	33360799
Stimulator of interferon genes protein	EC50	=	186.0	nM	6.73	Agonist activity at mouse STING assessed as IFN-beta secretion	33360799
Stimulator of interferon genes protein	EC50	=	190.0	nM	6.72	Agonist activity to C-terminal domain STING HAQ mutant (139 to 379 residues) in ...	33360799
Unchecked	EC50	=	200.0	nM	6.7	Agonist activity to C-terminal domain STING R232H mutant (139 to 379 residues) i...	33360799

PubMed	DOI	Target Context	# Activities
33360799	10.1016/j.ejmech.2020.113113	Stimulator of interferon genes protein	3
33360799	10.1016/j.ejmech.2020.113113	Unchecked	1

Data from ChEMBL 36 via Core Engine