ETHOSUXIMIDE

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Search structure


Trade Names	ETHOSUXIMIDE ZARONTIN
Synonyms	CI-366 CN-10,395 CN-10395 Emeside Ethosuximide Ethosuximidum NSC-64013 PM-671 Pyknolepsinum Suxinutin Zarontin
Status
Molecule Category	UNKNOWN
ATC	N03AD01
UNII	5SEH9X1D1D
EPA CompTox	DTXSID7023019


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

Structure


InChI Key	HAPOVYFOVVWLRS-UHFFFAOYSA-N
Smiles	CCC1(C)CC(=O)NC1=O
InChI	InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C7H11NO2
Molecular Weight	141.17
AlogP	0.45
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	46.17
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	10.0

Metabolites Network

visNetwork

Bioactivity

Mechanism of Action	Action	Reference
Voltage-gated T-type calcium channel blocker	BLOCKER	PubMed PubMed Wikipedia

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	103

Assay Description	Organism	Bioactivity	Reference
Antimutagenic activity in Vibrio harveyi BB7XM assessed as inhibition of 4-nitroquinoline-N-oxide-induced mutation	Vibrio harveyi	43.0 %
Antimutagenic activity in Vibrio harveyi BB7M assessed as inhibition of 4-nitroquinoline-N-oxide-induced mutation	Vibrio harveyi	43.0 %
Antimutagenic activity in Vibrio harveyi BB7X assessed as inhibition of 4-nitroquinoline-N-oxide-induced mutation	Vibrio harveyi	0.0 %
Antimutagenic activity in Vibrio harveyi BB7 assessed as inhibition of 4-nitroquinoline-N-oxide-induced mutation	Vibrio harveyi	30.0 %
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	137.47 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	102.86 %
Anticonvulsant activity against pentylenetetrazole-induced seizure in albino Swiss (CD-1) mouse assessed as decrease in mortality rate at 100 mg/kg, ip administered 60 mins prior to PTZ challenge	Mus musculus	75.0 %
Anticonvulsant activity against pentylenetetrazole-induced seizure in albino Swiss (CD-1) mouse assessed as decrease in seizure episodes at 100 mg/kg, ip administered 60 mins prior to PTZ challenge	Mus musculus	64.0 %
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	-5.59 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	9.635 %
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	0.0 %		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	0.0 %

Cross References

Resources	Reference
ChEBI	4887
ChEMBL	CHEMBL696
DrugBank	DB00593
DrugCentral	1087
FDA SRS	5SEH9X1D1D
Human Metabolome Database	HMDB0014731
Guide to Pharmacology	7182
KEGG	C07505
PharmGKB	PA449533
PubChem	3291
SureChEMBL	SCHEMBL34212
ZINC	ZINC01530806

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).