Compound Detail

CHEMBL3678240

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O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(OC(F)(F)F)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3678240
Phase	Preclinical
Structure Type	MOL
InChI Key	INIMUMMAVCNJFA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

458.3

MW (Da)

5.34

ALogP

HBA

HBD

80.4

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 7.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium channel protein type 10 subunit alpha CHEMBL4017	IC50	7.96	7.7867	11.0	3
Sodium channel protein type 8 subunit alpha CHEMBL5202	IC50	7.96	7.96	11.0	1
Sodium channel protein type 10 subunit alpha CHEMBL5451	IC50	7.96	7.96	11.0	1
Unchecked CHEMBL612545	IC50	7.96	7.96	11.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium channel protein type 10 subunit alpha	IC50	=	11.0	nM	7.96	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Sodium channel protein type 10 subunit alpha	IC50	=	11.0	nM	7.96	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Sodium channel protein type 10 subunit alpha	IC50	=	11.0	nM	7.96	Electrophysiology Assay: 1) Pre-spotted compounds (in neat DMSO) into compound p...	-
Unchecked	IC50	=	11.0	nM	7.96	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Unchecked	IC50	=	11.0	nM	7.96	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-
Sodium channel protein type 8 subunit alpha	IC50	=	11.0	nM	7.96	Assays for Detecting and Measuring of NaV Inhibition: 1) Pre-spotted compounds (...	-
Sodium channel protein type 10 subunit alpha	IC50	=	36.0	nM	7.44	Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef...	-

Data from ChEMBL 36 via Core Engine