Compound Detail

CHEMBL4465931

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Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](N)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4465931
Phase	Preclinical
Structure Type	MOL
InChI Key	XCBICKGEMRFEML-XBNNLADJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

673.4

MW (Da)

-2.38

ALogP

HBA

HBD

335.4

PSA (Å²)

0.11

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 6 meas. best 7.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Stimulator of interferon genes protein CHEMBL4523377	EC50	7.7	7.385	20.0	4
Unchecked CHEMBL612545	EC50	5.85	5.85	1400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	EC50	=	20.0	nM	7.7	Activation of recombinant human wild-type STING expressed in 293T cells measured...	31715099
Stimulator of interferon genes protein	EC50	=	20.0	nM	7.7	Activation of recombinant human STING haplotype G230A/R293Q mutant expressed in ...	31715099
Stimulator of interferon genes protein	EC50	=	30.0	nM	7.52	Activation of recombinant human STING haplotype R71H/G230A/R293Q mutant expresse...	31715099
Stimulator of interferon genes protein	EC50	=	240.0	nM	6.62	Activation of recombinant human STING haplotype R293Q mutant expressed in 293T c...	31715099
Unchecked	EC50	=	1400.0	nM	5.85	Activation of recombinant human STING haplotype R232H mutant expressed in 293T c...	31715099

PubMed	DOI	Target Context	# Activities
31715099	10.1021/acs.jmedchem.9b01062	Stimulator of interferon genes protein	14
31715099	10.1021/acs.jmedchem.9b01062	Unchecked	3
31715099	10.1021/acs.jmedchem.9b01062	Monocyte	1

Data from ChEMBL 36 via Core Engine