PARAMETHADIONE


Trade Names	PARADIONE
Synonyms	Isoethadione NSC-760129 Paradione Paramethadione
Status
Molecule Category	Free-form
ATC	N03AC01
UNII	Z615FRW64N
EPA CompTox	DTXSID8023420


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

Structure


InChI Key	VQASKUSHBVDKGU-UHFFFAOYSA-N
Smiles	CCC1(C)OC(=O)N(C)C1=O
InChI	InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C7H11NO3
Molecular Weight	157.17
AlogP	0.76
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	1.0
Polar Surface Area	46.61
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	11.0

Bioactivity

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

Cross References

Resources	Reference
ChEBI	7921
ChEMBL	CHEMBL1100
DrugBank	DB00617
DrugCentral	2059
FDA SRS	Z615FRW64N
Human Metabolome Database	HMDB0014755
Guide to Pharmacology	7261
KEGG	C07411
PharmGKB	PA164748880
PubChem	8280
SureChEMBL	SCHEMBL34857

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).

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).