Compound Detail

CHEMBL5631976

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Nc1nc2c(ncn2[C@@H]2O[C@@H]3/C=C/P(=O)(O)O[C@H]4[C@@H](F)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2F)c(=O)[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5631976
Phase	Preclinical
Structure Type	MOL
InChI Key	UJDFLSCSIIBLQW-AUDQAHRRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

690.4

MW (Da)

-0.51

ALogP

HBA

HBD

299.9

PSA (Å²)

0.14

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 5 meas. best 6.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Stimulator of interferon genes protein CHEMBL4523377	EC50	6.3	5.85	500.0	4
Unchecked CHEMBL612545	EC50	5.43	5.43	3690.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Stimulator of interferon genes protein	EC50	=	500.0	nM	6.3	Agonist activity at STING R232 mutant (unknown origin) expressed in digitonin -p...	37567057
Stimulator of interferon genes protein	EC50	=	950.0	nM	6.02	Agonist activity at STING R71H/G230A/R293Q mutant (unknown origin) expressed in ...	37567057
Stimulator of interferon genes protein	EC50	=	950.0	nM	6.02	Agonist activity at STING G230A/R293Q mutant (unknown origin) expressed in digit...	37567057
Unchecked	EC50	=	3690.0	nM	5.43	Agonist activity at STING R232H mutant (unknown origin) expressed in digitonin -...	37567057
Stimulator of interferon genes protein	EC50	=	8650.0	nM	5.06	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