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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL696
CHEMBL696
Compound Name ETHOSUXIMIDE
ChEMBL Synonyms EMESIDE | ZARONTIN | CI-366 | SUXINUTIN | CN-10,395 | PM-671 | ETHOSUXIMIDE
Max Phase 4 (Approved)
Trade Names SUXINUTIN | EMESIDE | ETHOSUXIMIDE | ZARONTIN
Molecular Formula C7H11NO2

Additional synonyms for CHEMBL696 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • 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


CHEMBL696

Molecule Features

CHEMBL696 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N 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 PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Irritable Bowel SyndromeD043183EFO:0000555irritable bowel syndrome2ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy4ATC
ATC
Migraine DisordersD008881EFO:0003821migraine disorder1ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain2ClinicalTrials

Clinical Data

ClinicalTrials.gov ETHOSUXIMIDE
The Cochrane Collaboration ETHOSUXIMIDE

Metabolites for CHEMBL696

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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
141.2 141.079 0.45 1 46.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.7 - .25 .25 0 10 0.54

Structural Alerts

There are 1 structural alerts for CHEMBL696. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N03 - ANTIEPILEPTICS
N03A - ANTIEPILEPTICS
N03AD - Succinimide derivatives
N03AD01 - ethosuximide

N - NERVOUS SYSTEM
N03 - ANTIEPILEPTICS
N03A - ANTIEPILEPTICS
N03AD - Succinimide derivatives
N03AD51 - ethosuximide, combinations

ChemSpider ChemSpider:HAPOVYFOVVWLRS-UHFFFAOYSA-N
DailyMed ethosuximide
PubChem SID: 144203921 SID: 170464802 SID: 174006922 SID: 26747515 SID: 26747516 SID: 50106318 SID: 50106319 SID: 85231037 SID: 90340672
Wikipedia Ethosuximide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL696



ACToR 77-67-8
BindingDB 50240424
Brenda 97926
ChEBI 4887
DrugBank DB00593
DrugCentral 1087
eMolecules 28291654 538136
EPA CompTox Dashboard DTXSID7023019
Guide to Pharmacology 7182
Human Metabolome Database HMDB0014731
IBM Patent System F68CB0EF898940DFFA72627F6F3AE781
KEGG Ligand C07505
LINCS LSM-5195
Mcule MCULE-4034034545
MolPort MolPort-003-666-417
Nikkaji J1.477J
PharmGKB PA449533
PubChem 3291
PubChem: Drugs of the Future 57304373
PubChem: Thomson Pharma 15219092
SureChEMBL SCHEMBL34212 SCHEMBL20541518

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