Compound Detail

CHEMBL3678268

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C(Nc1cc[nH]c(=O)c1)c1cc(F)c(Cl)cc1Oc1ccc(F)cc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3678268
Phase	Preclinical
Structure Type	MOL
InChI Key	WLRVZQGFKCYIOQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

411.2

MW (Da)

5.00

ALogP

HBA

HBD

71.2

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium channel protein type 10 subunit alpha CHEMBL4017	IC50	7.72	7.72	19.0	1
Sodium channel protein type 8 subunit alpha CHEMBL5202	IC50	7.72	7.72	19.0	1
Sodium channel protein type 10 subunit alpha CHEMBL5451	IC50	7.72	7.72	19.0	1
Unchecked CHEMBL612545	IC50	7.72	7.72	19.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium channel protein type 10 subunit alpha	IC50	=	19.0	nM	7.72	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Unchecked	IC50	=	19.0	nM	7.72	E-VIPR Optical Membrane Potential Assay: Sodium channels are voltage-dependent p...	-
Sodium channel protein type 10 subunit alpha	IC50	=	19.0	nM	7.72	Electrophysiology Assay: 1) Pre-spotted compounds (in neat DMSO) into compound p...	-
Unchecked	IC50	=	19.0	nM	7.72	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Sodium channel protein type 8 subunit alpha	IC50	=	19.0	nM	7.72	Assays for Detecting and Measuring of NaV Inhibition: 1) Pre-spotted compounds (...	-

Data from ChEMBL 36 via Core Engine