Compound Detail

CHEMBL1277877

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CCOc1ccc(-c2cncc(C(=O)Nc3cc(C)cc(C)c3)n2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1277877
Phase	Preclinical
Structure Type	MOL
InChI Key	KFGUDEORIBZTGM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

347.4

MW (Da)

4.41

ALogP

HBA

HBD

64.1

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium channel protein type 10 subunit alpha CHEMBL5451	IC50	8.7	8.7	2.0	1
Sodium channel protein type 10 subunit alpha CHEMBL4017	IC50	7.92	7.92	12.0	1
Sodium channel protein type 10 subunit alpha CHEMBL5158	IC50	7.25	7.25	56.0	1
Sodium channel protein type 2 subunit alpha CHEMBL4187	IC50	6.44	6.44	360.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium channel protein type 10 subunit alpha	IC50	=	2.0	nM	8.7	Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional...	20965738
Sodium channel protein type 10 subunit alpha	IC50	=	12.0	nM	7.92	Inhibition of tetrodotoxin-resistant NaV1.8 in rat dorsal root ganglion neurons ...	20965738
Sodium channel protein type 10 subunit alpha	IC50	=	56.0	nM	7.25	Inhibition of mouse NaV1.8 expressed in HEK293 cells by isotopic efflux assay	20965738
Sodium channel protein type 2 subunit alpha	IC50	=	360.0	nM	6.44	Inhibition of human recombinant NaV1.2 by electrophysiology	20965738

PubMed	DOI	Target Context	# Activities
20965738	10.1016/j.bmc.2010.09.057	Sodium channel protein type 10 subunit alpha	3
20965738	10.1016/j.bmc.2010.09.057	Sodium channel protein type 2 subunit alpha	1
20965738	10.1016/j.bmc.2010.09.057	No relevant target	1

Data from ChEMBL 36 via Core Engine