Compound Detail

CHEMBL3678230

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Cc1cc(F)ccc1Oc1ccc(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3678230
Phase	Preclinical
Structure Type	MOL
InChI Key	POWGSPMXXFULOC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

372.8

MW (Da)

4.52

ALogP

HBA

HBD

71.2

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 7.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium channel protein type 10 subunit alpha CHEMBL4017	IC50	7.52	7.52	30.0	2
Sodium channel protein type 8 subunit alpha CHEMBL5202	IC50	7.52	7.52	30.0	1
Sodium channel protein type 10 subunit alpha CHEMBL5451	IC50	7.52	7.52	30.0	1
Unchecked CHEMBL612545	IC50	7.52	7.52	30.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium channel protein type 10 subunit alpha	IC50	=	30.0	nM	7.52	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Sodium channel protein type 10 subunit alpha	IC50	=	30.0	nM	7.52	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Unchecked	IC50	=	30.0	nM	7.52	E-VIPR Optical Membrane Potential Assay: Sodium channels are voltage-dependent p...	-
Sodium channel protein type 10 subunit alpha	IC50	=	30.0	nM	7.52	Electrophysiology Assay: 1) Pre-spotted compounds (in neat DMSO) into compound p...	-
Unchecked	IC50	=	30.0	nM	7.52	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Unchecked	IC50	=	30.0	nM	7.52	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Sodium channel protein type 8 subunit alpha	IC50	=	30.0	nM	7.52	Assays for Detecting and Measuring of NaV Inhibition: 1) Pre-spotted compounds (...	-

Data from ChEMBL 36 via Core Engine