Compound Detail

CHEMBL4751982

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Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(S)O[C@H]3[C@@H](F)[C@H](n4cnc5c(O)ncnc54)O[C@@H]3COP(=O)(S)O[C@H]2[C@H]1F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4751982
Phase	Preclinical
Structure Type	MOL
InChI Key	WBEHEZDHRLNQIK-IRYAPSAPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

695.5

MW (Da)

2.32

ALogP

HBA

HBD

223.0

PSA (Å²)

0.17

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 6.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Stimulator of interferon genes protein CHEMBL4523377	EC50	6.52	6.24	300.0	3
Stimulator of interferon genes protein CHEMBL4523311	EC50	6.22	6.22	600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	EC50	=	300.0	nM	6.52	Activation of STING in human THP-1-Dual cells assessed as induction of type I IF...	27783523
Stimulator of interferon genes protein	EC50	=	400.0	nM	6.4	Activation of STING in human blood assessed as induction of type I IFNs incubate...	27783523
Stimulator of interferon genes protein	EC50	=	600.0	nM	6.22	Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I...	27783523
Stimulator of interferon genes protein	EC50	=	1600.0	nM	5.8	Activation of STING in human THP-1-Dual cells assessed as induction of type I IF...	27783523

PubMed	DOI	Target Context	# Activities
27783523	10.1021/acs.jmedchem.6b01300	Stimulator of interferon genes protein	9
27783523	10.1021/acs.jmedchem.6b01300	Unchecked	3
27783523	10.1021/acs.jmedchem.6b01300	Nuclease P1	1

Data from ChEMBL 36 via Core Engine