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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1094
CHEMBL1094
Compound Name FELBAMATE
ChEMBL Synonyms FELBATOL | TALOXA | FELBAMATE | W-554
Max Phase 4 (Approved)
Trade Names FELBATOL | TALOXA | FELBAMATE
Molecular Formula C11H14N2O4

Additional synonyms for CHEMBL1094 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)OCC(COC(=O)N)c1ccccc1
Standard InChI InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3 ...
Download InChI
Standard InChI Key WKGXYQFOCVYPAC-UHFFFAOYSA-N

Sources

  • British National Formulary
  • 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


CHEMBL1094

Molecule Features

CHEMBL1094 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glutamate [NMDA] receptor antagonist Glutamate [NMDA] receptor FDA ISBN PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Bipolar DisorderD001714EFO:0000289bipolar disorder2ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy4ATC

Clinical Data

ClinicalTrials.gov FELBAMATE
The Cochrane Collaboration FELBAMATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1094. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL209 Trypsin I Homo sapiens 0.965
CHEMBL274 C-C chemokine receptor type 5 Homo sapiens 0.853
CHEMBL3286 Urokinase-type plasminogen activator Homo sapiens 0.676
CHEMBL204 Thrombin Homo sapiens 0.386
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.295
CHEMBL4777 Neuropeptide Y receptor type 1 Homo sapiens 0.246
CHEMBL2857 Human rhinovirus A protease Human rhinovirus sp. 0.200



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL209 Trypsin I Homo sapiens 0.964
CHEMBL274 C-C chemokine receptor type 5 Homo sapiens 0.823
CHEMBL3286 Urokinase-type plasminogen activator Homo sapiens 0.615
CHEMBL4777 Neuropeptide Y receptor type 1 Homo sapiens 0.599
CHEMBL204 Thrombin Homo sapiens 0.560
CHEMBL4040 MAP kinase ERK2 Homo sapiens 0.280
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.215

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
238.2 238.0954 0.96 5 104.64 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.99 - .73 .73 1 17 0.8

Structural Alerts

There are 2 structural alerts for CHEMBL1094. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N03 - ANTIEPILEPTICS
N03A - ANTIEPILEPTICS
N03AX - Other antiepileptics
N03AX10 - felbamate

ChemSpider ChemSpider:WKGXYQFOCVYPAC-UHFFFAOYSA-N
DailyMed felbamate
PubChem SID: 104171154 SID: 11113343 SID: 144203696 SID: 144212685 SID: 170465178 SID: 50104096 SID: 56422162 SID: 855835 SID: 90340922
Wikipedia Felbamate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1094



ACToR 25451-15-4
BindingDB 50088430
ChEBI 4995
DrugBank DB00949
DrugCentral 1140
eMolecules 538231
EPA CompTox Dashboard DTXSID9023041
FDA SRS X72RBB02N8
Guide to Pharmacology 5473
Human Metabolome Database HMDB0015084
IBM Patent System 712FB2BE1F5B2BCD2B6E748317438C91
KEGG Ligand C07501
LINCS LSM-4232
Mcule MCULE-2661497722
MolPort MolPort-003-666-873
Nikkaji J50.906J
PharmGKB PA449590
PubChem 3331
PubChem: Drugs of the Future 12013710
PubChem: Thomson Pharma 15196364
Selleck Felbamate
SureChEMBL SCHEMBL34947
ZINC ZINC000001530803

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