Compound Detail

CHEMBL5089851

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CCC(CC)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	CHEMBL5089851
Phase	Preclinical
Structure Type	MOL
InChI Key	BLLAWDSKFGJSCP-SSLMSAPQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

790.6

MW (Da)

2.28

ALogP

HBA

HBD

284.5

PSA (Å²)

0.13

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 6.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Stimulator of interferon genes protein CHEMBL4523377	EC50	6.82	6.2625	150.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	EC50	=	150.0	nM	6.82	Activation of wild-type human STING expressed in human THP1-Dual cells co-expres...	34019405
Stimulator of interferon genes protein	EC50	=	450.0	nM	6.35	Activation of wild-type human STING expressed in HEK293T cells co-expressing IRF...	34019405
Stimulator of interferon genes protein	EC50	=	970.0	nM	6.01	Activation of wild-type human STING expressed in digitonin treated human THP1-Du...	34019405
Stimulator of interferon genes protein	EC50	=	1360.0	nM	5.87	Activation of wild-type human STING expressed in HEK293T cells co-expressing IRF...	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