FELBAMATE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N03AX10
UNII X72RBB02N8
EPA CompTox DTXSID9023041

Structure

InChI Key WKGXYQFOCVYPAC-UHFFFAOYSA-N
Smiles NC(=O)OCC(COC(N)=O)c1ccccc1
InChI
InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14N2O4
Molecular Weight 238.24
AlogP 0.96
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 104.64
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Glutamate [NMDA] receptor antagonist ANTAGONIST FDA ISBN PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- - - - 61-90
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 61-90
Rattus norvegicus
- 95 - - -

Target Conservation

Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2D
Organism : Homo sapiens
O15399 ENSG00000105464
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 3B
Organism : Homo sapiens
O60391 ENSG00000116032
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 1
Organism : Homo sapiens
Q05586 ENSG00000176884
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2A
Organism : Homo sapiens
Q12879 ENSG00000183454
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2B
Organism : Homo sapiens
Q13224 ENSG00000273079
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2C
Organism : Homo sapiens
Q14957 ENSG00000161509
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 3A
Organism : Homo sapiens
Q8TCU5 ENSG00000198785

Cross References

Resources Reference
ChEBI 4995
ChEMBL CHEMBL1094
DrugBank DB00949
DrugCentral 1140
FDA SRS X72RBB02N8
Human Metabolome Database HMDB0015084
Guide to Pharmacology 5473
KEGG C07501
PharmGKB PA449590
PubChem 3331
SureChEMBL SCHEMBL34947
ZINC ZINC000001530803
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