TRIMETHADIONE

/static/temp/default.svg

Search structure


Trade Names	TRIDIONE
Synonyms	A 2297 Absentol Epidione J2.519D Minoaleviatin NSC-15799 NSC-169503 Tridione Tridone Trimethadione Trimethadionum Troxidone
Status
Molecule Category	UNKNOWN
ATC	N03AC02
UNII	R7GV3H6FQ4
EPA CompTox	DTXSID9021396


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

Structure


InChI Key	IRYJRGCIQBGHIV-UHFFFAOYSA-N
Smiles	CN1C(=O)OC(C)(C)C1=O
InChI	InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H9NO3
Molecular Weight	143.14
AlogP	0.37
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	46.61
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	10.0

Bioactivity

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

Assay Description	Organism	Bioactivity	Reference
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	-4.77 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	1.959 %
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	0.15 %		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	0.15 %

Cross References

Resources	Reference
ChEBI	9727
ChEMBL	CHEMBL695
DrugBank	DB00347
DrugCentral	2751
FDA SRS	R7GV3H6FQ4
Human Metabolome Database	HMDB0014491
Guide to Pharmacology	7316
PharmGKB	PA164744924
PubChem	5576
SureChEMBL	SCHEMBL28882
ZINC	ZINC000001530710

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).