Compound Detail

CHEMBL5093084

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CC(C)(C)C(=O)OCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](F)[C@@H]2O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5093084
Phase	Preclinical
Structure Type	MOL
InChI Key	ONYHKYPUKBSXMH-IBUACTADSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

776.5

MW (Da)

1.89

ALogP

HBA

HBD

284.5

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

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	6.57	130.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	EC50	=	130.0	nM	6.89	Activation of wild-type human STING expressed in HEK293T cells co-expressing IRF...	34019405
Stimulator of interferon genes protein	EC50	=	180.0	nM	6.75	Activation of wild-type human STING expressed in human THP1-Dual cells co-expres...	34019405
Stimulator of interferon genes protein	EC50	=	460.0	nM	6.34	Activation of wild-type human STING expressed in HEK293T cells co-expressing IRF...	34019405
Stimulator of interferon genes protein	EC50	=	500.0	nM	6.3	Activation of wild-type human STING expressed in digitonin treated human THP1-Du...	34019405

PubMed	DOI	Target Context	# Activities
34019405	10.1021/acs.jmedchem.1c00301	Stimulator of interferon genes protein	8

Data from ChEMBL 36 via Core Engine