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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL919
CHEMBL919
Compound Name FOSPHENYTOIN SODIUM
ChEMBL Synonyms FOSPHENYTOIN SODIUM | ACC-9653-010 (SODIUM SALT) | CI-982 | PRO-EPANUTIN | CEREBYX
Max Phase 4 (Approved)
Trade Names CEREBYX | FOSPHENYTOIN SODIUM | PRO-EPANUTIN
Molecular Formula C16H13N2Na2O6P

Additional synonyms for CHEMBL919 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[O-]P(=O)([O-])OCN1C(=O)NC(C1=O)(c2ccccc2)c3cccc ...
Download SMILES
Standard InChI InChI=1S/C16H15N2O6P.2Na/c19-14-16(12-7-3-1-4-8-12,13-9-5-2- ...
Download InChI
Standard InChI Key GQPXYJNXTAFDLT-UHFFFAOYSA-L

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL919

Molecule Features

CHEMBL919 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sodium channel alpha subunit blocker Sodium channel alpha subunit DailyMed PubMed PubMed

Clinical Data

ClinicalTrials.gov FOSPHENYTOIN SODIUM
The Cochrane Collaboration FOSPHENYTOIN SODIUM

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 CHEMBL919. 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
CHEMBL4414 Plasmepsin 2 Plasmodium falciparum 1.000
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 0.386
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.253

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4414 Plasmepsin 2 Plasmodium falciparum 0.997
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.972
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.216

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
362.3 362.0668 1.55 5 116.17 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.74 - -1.06 -6.08 2 25 0.55

Structural Alerts

There are 8 structural alerts for CHEMBL919. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GQPXYJNXTAFDLT-UHFFFAOYSA-L
DailyMed fosphenytoin sodium
Wikipedia Fosphenytoin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL919



ACToR 92134-98-0
eMolecules 36554070
EPA CompTox Dashboard DTXSID1044271
FDA SRS 7VLR55452Z
MolPort MolPort-020-002-505
Nikkaji J353.480D
PubChem 101587909 56338 58891891
PubChem: Drugs of the Future 12013954
PubChem: Thomson Pharma 14855099
SureChEMBL SCHEMBL119417

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