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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL695
CHEMBL695
Compound Name TRIMETHADIONE
ChEMBL Synonyms TRIMETHADIONE | TROXIDONE | TRIDIONE
Max Phase 4 (Approved)
Trade Names TRIDIONE
Molecular Formula C6H9NO3

Additional synonyms for CHEMBL695 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • British National Formulary
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL695

Molecule Features

CHEMBL695 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Voltage-gated T-type calcium channel blocker Voltage-gated T-type calcium channel ISBN PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
EpilepsyD004827EFO:0000474epilepsy4ATC

Clinical Data

ClinicalTrials.gov TRIMETHADIONE
The Cochrane Collaboration TRIMETHADIONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
143.1 143.0582 0.37 0 46.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .79 .79 0 10 0.49

Structural Alerts

There are no structural alerts for CHEMBL695

Compound Cross References

ATC N - NERVOUS SYSTEM
N03 - ANTIEPILEPTICS
N03A - ANTIEPILEPTICS
N03AC - Oxazolidine derivatives
N03AC02 - trimethadione

ChemSpider ChemSpider:IRYJRGCIQBGHIV-UHFFFAOYSA-N
DailyMed trimethadione
PubChem SID: 11112276 SID: 144203959 SID: 144207429
Wikipedia Trimethadione

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL695



ACToR 127-48-0
Atlas trimethadione
ChEBI 9727
DrugBank DB00347
DrugCentral 2751
eMolecules 594547
EPA CompTox Dashboard DTXSID9021396
FDA SRS R7GV3H6FQ4
Guide to Pharmacology 7316
Human Metabolome Database HMDB0014491
IBM Patent System B1B3D9B19A502A1B5ACFE97C799C06C2
LINCS LSM-5345
Mcule MCULE-4761457520
MolPort MolPort-001-846-840
Nikkaji J2.519D
NMRShiftDB 20180581
PharmGKB PA164744924
PubChem 5576
PubChem: Thomson Pharma 14793827
SureChEMBL SCHEMBL28882
ZINC ZINC000001530710

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IRYJRGCIQBGHIV-UHFFFAOYSA-N spacer
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