Compound Detail

CHEMBL5988098

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C[C@H](Nc1cc(F)c(S(=O)(=O)Nc2cccc(F)n2)cc1Cl)c1ccccc1F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5988098
Phase	Preclinical
Structure Type	MOL
InChI Key	SHHXSEMTUZYMJD-NSHDSACASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

441.9

MW (Da)

5.13

ALogP

HBA

HBD

71.1

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 5 meas. best 6.59

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium channel protein type 8 subunit alpha CHEMBL5202	IC50	6.59	6.24	259.0	2
Sodium channel protein type 1 subunit alpha CHEMBL1845	IC50	5.37	5.21	4291.0	2
Sodium channel protein type 5 subunit alpha CHEMBL1980	IC50	5.31	5.31	4855.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium channel protein type 8 subunit alpha	IC50	=	259.0	nM	6.59	Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo...	-
Sodium channel protein type 8 subunit alpha	IC50	=	1296.0	nM	5.89	Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o...	-
Sodium channel protein type 1 subunit alpha	IC50	=	4291.0	nM	5.37	Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o...	-
Sodium channel protein type 5 subunit alpha	IC50	=	4855.0	nM	5.31	Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o...	-
Sodium channel protein type 1 subunit alpha	IC50	=	9000.0	nM	5.05	Electrophysiological Assay (In Vitro Assay): Patch voltage clamp electrophysiolo...	-

Data from ChEMBL 36 via Core Engine