Compound Detail

CHEMBL5078036

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5078036
Phase	Preclinical
Structure Type	MOL
InChI Key	ACFLUKTZBKNITE-WAZFKGIDSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

678.5

MW (Da)

1.26

ALogP

HBA

HBD

249.0

PSA (Å²)

0.17

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 8.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Stimulator of interferon genes protein CHEMBL4523377	EC50	8.15	7.4	7.0	3
Unchecked CHEMBL612545	EC50	6.35	6.195	450.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	EC50	=	7.0	nM	8.15	Activation of wild-type human STING expressed in digitonin treated HEK293T cells...	34019405
Stimulator of interferon genes protein	EC50	=	70.0	nM	7.16	Activation of human STING QA mutant expressed in digitonin treated HEK293T cells...	34019405
Stimulator of interferon genes protein	EC50	=	130.0	nM	6.89	Activation of human STING HAQ mutant expressed in digitonin treated HEK293T cell...	34019405
Unchecked	EC50	=	450.0	nM	6.35	Activation of human STING Q mutant expressed in digitonin treated HEK293T cells ...	34019405
Unchecked	EC50	=	920.0	nM	6.04	Activation of human STING REF mutant expressed in digitonin treated HEK293T cell...	34019405

PubMed	DOI	Target Context	# Activities
34019405	10.1021/acs.jmedchem.1c00301	Stimulator of interferon genes protein	5
34019405	10.1021/acs.jmedchem.1c00301	Unchecked	2

Data from ChEMBL 36 via Core Engine