Compound Detail

CHEMBL5632563

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5632563
Phase	Preclinical
Structure Type	MOL
InChI Key	MWDOHPRRWUMQBZ-IHHFMVCUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

640.4

MW (Da)

0.95

ALogP

HBA

HBD

260.0

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 4 meas. best 6.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Stimulator of interferon genes protein CHEMBL4523377	EC50	6.55	6.0625	280.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	EC50	=	280.0	nM	6.55	Agonist activity at STING R71H/G230A/R293Q mutant (unknown origin) expressed in ...	37567057
Stimulator of interferon genes protein	EC50	=	400.0	nM	6.4	Agonist activity at STING G230A/R293Q mutant (unknown origin) expressed in digit...	37567057
Stimulator of interferon genes protein	EC50	=	750.0	nM	6.12	Agonist activity at STING R232 mutant (unknown origin) expressed in digitonin -p...	37567057
Stimulator of interferon genes protein	EC50	=	6570.0	nM	5.18	Agonist activity at STING R293Q mutant (unknown origin) expressed in digitonin -...	37567057

PubMed	DOI	Target Context	# Activities
37567057	10.1016/j.ejmech.2023.115685	Stimulator of interferon genes protein	6
37567057	10.1016/j.ejmech.2023.115685	Unchecked	1

Data from ChEMBL 36 via Core Engine