Compound Detail

CHEMBL3639770

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O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3639770
Phase	Preclinical
Structure Type	MOL
InChI Key	AKDINRARGVIZNO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

408.8

MW (Da)

5.09

ALogP

HBA

HBD

71.2

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.27

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium channel protein type 10 subunit alpha CHEMBL4017	IC50	7.27	7.27	54.0	1
Sodium channel protein type 8 subunit alpha CHEMBL5202	IC50	7.27	7.27	54.0	1
Sodium channel protein type 10 subunit alpha CHEMBL5451	IC50	7.27	7.27	54.0	1
Unchecked CHEMBL612545	IC50	7.27	7.27	54.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium channel protein type 10 subunit alpha	IC50	=	54.0	nM	7.27	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Unchecked	IC50	=	54.0	nM	7.27	E-VIPR Optical Membrane Potential Assay: Sodium channels are voltage-dependent p...	-
Sodium channel protein type 10 subunit alpha	IC50	=	54.0	nM	7.27	Electrophysiology Assay: 1) Pre-spotted compounds (in neat DMSO) into compound p...	-
Unchecked	IC50	=	54.0	nM	7.27	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Sodium channel protein type 8 subunit alpha	IC50	=	54.0	nM	7.27	Assays for Detecting and Measuring of NaV Inhibition: 1) Pre-spotted compounds (...	-

Data from ChEMBL 36 via Core Engine