ESLICARBAZEPINE ACETATE


Trade Names	APTIOM ESLICARBAZEPINE ACETATE
Synonyms	Aptiom BIA 2-093 BIA-2-093 BIA-2093 Erelib Eslicarbazepine acetate Pazzul SEP - 0002093 SEP-0002093 Stedesa Zebinix
Status
Molecule Category	Free-form
UNII	BEA68ZVB2K
EPA CompTox	DTXSID90178308
Parent Compound:	ESLICARBAZEPINE


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	QIALRBLEEWJACW-INIZCTEOSA-N
Smiles	CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21
InChI	InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1

Mechanism of Action	Action	Reference
Sodium channel alpha subunit blocker	BLOCKER	PubMed FDA


Protein: Sodium channel alpha subunit Description: Sodium channel protein type 1 subunit alpha Organism : Homo sapiens P35498 ENSG00000144285










Protein: Sodium channel alpha subunit Description: Sodium channel protein type 4 subunit alpha Organism : Homo sapiens P35499 ENSG00000007314











Protein: Sodium channel alpha subunit Description: Sodium channel protein type 5 subunit alpha Organism : Homo sapiens Q14524 ENSG00000183873








Protein: Sodium channel alpha subunit Description: Sodium channel protein type 9 subunit alpha Organism : Homo sapiens Q15858 ENSG00000169432







Protein: Sodium channel alpha subunit Description: Sodium channel protein type 2 subunit alpha Organism : Homo sapiens Q99250 ENSG00000136531










Protein: Sodium channel alpha subunit Description: Sodium channel protein type 3 subunit alpha Organism : Homo sapiens Q9NY46 ENSG00000153253









Protein: Sodium channel alpha subunit Description: Sodium channel protein type 11 subunit alpha Organism : Homo sapiens Q9UI33 ENSG00000168356







Protein: Sodium channel alpha subunit Description: Sodium channel protein type 8 subunit alpha Organism : Homo sapiens Q9UQD0 ENSG00000196876











Protein: Sodium channel alpha subunit Description: Sodium channel protein type 10 subunit alpha Organism : Homo sapiens Q9Y5Y9 ENSG00000185313

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel P2X receptor	-	-	-	-	25

Assay Description	Organism	Bioactivity
Percent inhibition of 22Na+ uptake by voltage sensitive sodium channel of rat cortical synaptosomes at 100 uM	Rattus norvegicus	73.4 %
Percent inhibition of 22Na+ uptake by voltage sensitive sodium channel of rat cortical synaptosomes at 30 uM	Rattus norvegicus	52.6 %
Percent inhibition of 22Na+ uptake by voltage sensitive sodium channel of rat cortical synaptosomes at 300 uM	Rattus norvegicus	95.6 %
Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx at 20 uM preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay	Homo sapiens	25.0 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	0.5 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	-0.05963 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.08 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.08 %

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