Compound Detail

CHEMBL5824188

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CC[C@@H](Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5824188
Phase	Preclinical
Structure Type	MOL
InChI Key	IMKFJSDSDZBSQO-OAHLLOKOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

425.9

MW (Da)

5.30

ALogP

HBA

HBD

71.1

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 5 meas. best 6.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium channel protein type 8 subunit alpha CHEMBL5202	IC50	6.54	6.32	285.0	2
Sodium channel protein type 1 subunit alpha CHEMBL1845	IC50	5.73	5.68	1846.0	2
Sodium channel protein type 5 subunit alpha CHEMBL1980	IC50	5.17	5.17	6806.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium channel protein type 8 subunit alpha	IC50	=	285.0	nM	6.54	Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo...	-
Sodium channel protein type 8 subunit alpha	IC50	=	791.0	nM	6.1	Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o...	-
Sodium channel protein type 1 subunit alpha	IC50	=	1846.0	nM	5.73	Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo...	-
Sodium channel protein type 1 subunit alpha	IC50	=	2350.0	nM	5.63	Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o...	-
Sodium channel protein type 5 subunit alpha	IC50	=	6806.0	nM	5.17	Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o...	-

Data from ChEMBL 36 via Core Engine